Translate nucleic acid sequence into its corresponding amino acid sequence
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1
down vote
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Goal of the program
The goal of the program is to translate a nucleic acid sequence into its corresponding amino acid sequence. The nucleic sequences
have to be formatted in a specific format called fasta. There is an existing implementation of this program in C here: emboss transeq
Fasta format
A fasta file looks like this:
>sequenceId comment
nucleic sequence
for example:
>Seq1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
CCTTTATCTAATCTTTGGAGCATGAGCTGGCATAGTTGGAACCGCCCTCAGCCTCCTCATCCGTGCAGAA
CCCAGTCCTGTACCAACACCTCTTCTGATTCTTCGGCCATCCAGAAGTCTATATCCTCATTTTAC
>Seq2 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GGTAGGTACCGCCCTAAGNCTCCTAATCCGAGCAGAACTANGCCAACCCGGAGCCCTTCTGGGAGACGAC
AATCAACATAAAA
A nucleic sequence is a string composed of the letters A, C, T, G, U, N
Expected output
A combinaison of 3 nucleic acid, named codon, gives a specif amino acid, for exemple GCT is the code for Alanine, symbolised by the letter A
With the Seq1 define above:
codon CCT TTA TCT AAT CTT TGG AGC ATG ...
amino acid P L S N L W S M ...
The expected output is:
>Seq1_1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
PLSNLWSMSWHSWNRPQPPHPCRTQSCTNTSSDSSAIQKSISSFY
>Seq2_1 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GRYRPKXPNPSRTXPTRSPSGRRQST*X
Specific rules
The program takes 4 parameters:
clean: if true, write STOP codon asXinstead of*
trim: if true, remove allXand*chars from the right end of the amino - acid sequence
alternative: different way to compute reverse frame
frame: a string value in["1", "2", "3", "F", "-1", "-2", "-3", "R", "6" ]
The frame define the position in the nucleic sequence to start from:
-frame 1
|-frame 2
||-frame 3
|||
CCTTTATCTAATCTTTGGAGCATGAGCTGGCATAGTTGGAACCGCCCTCAGCCTCCTCATCCGTGCAGAA
CCCAGTCCTGTACCAACACCTCTTCTGATTCTTCGGCCATCCAGAAGTCTATATCCTCATTTTAC
|||
||-frame -1
|-frame -2
-frame -3
frame "F" = "1", "2", "3"
frame "R" = "-1", "-2", "-3"
frame "6" = "1", "2", "3", "-1", "-2", "-3"
In the output file, we add the frame used to the sequenceId: sequenceId = sequenceId_frame
For example if the program is used with frame=6, the expected output is
>Seq1_1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
PLSNLWSMSWHSWNRPQPPHPCRTQSCTNTSSDSSAIQKSISSFY
>Seq1_2 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
LYLIFGA*AGIVGTALSLLIRAEPSPVPTPLLILRPSRSLYPHFT
>Seq1_3 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
FI*SLEHELA*LEPPSASSSVQNPVLYQHLF*FFGHPEVYILILX
>Seq1_4 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
VK*GYRLLDGRRIRRGVGTGLGSARMRRLRAVPTMPAHAPKIR*R
>Seq1_5 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
KMRI*TSGWPKNQKRCWYRTGFCTDEEAEGGSNYASSCSKD*IKX
>Seq1_6 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
*NEDIDFWMAEESEEVLVQDWVLHG*GG*GRFQLCQLMLQRLDKG
>Seq2_1 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GRYRPKXPNPSRTXPTRSPSGRRQST*X
>Seq2_2 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
VGTALXLLIRAELXQPGALLGDDNQHKX
>Seq2_3 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
*VPP*XS*SEQNXANPEPFWETTINIK
>Seq2_4 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
LC*LSSPRRAPGWXSSARIRXLRAVPT
>Seq2_5 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
FMLIVVSQKGSGLA*FCSD*EX*GGTYX
>Seq2_6 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
FYVDCRLPEGLRVGXVLLGLGXLGRYLP
Improvements
- Is the code easy to read / understand ?
- Is the code idiomatic ?
- Any other improvements (performance, doc...)
( full project with tests + flags handling is avaible on github: gotranseq)
code :
package transeq
import (
"bufio"
"bytes"
"context"
"encoding/binary"
"fmt"
"io"
"runtime"
"sync"
)
var (
letterCode = map[byte]uint8{
'A': aCode,
'C': cCode,
'T': tCode,
'G': gCode,
'N': nCode,
'U': uCode,
}
standard = map[string]byte{
"TTT": 'F',
"TCT": 'S',
"TAT": 'Y',
"TGT": 'C',
"TTC": 'F',
"TCC": 'S',
"TAC": 'Y',
"TGC": 'C',
"TTA": 'L',
"TCA": 'S',
"TAA": '*',
"TGA": '*',
"TTG": 'L',
"TCG": 'S',
"TAG": '*',
"TGG": 'W',
"CTT": 'L',
"CCT": 'P',
"CAT": 'H',
"CGT": 'R',
"CTC": 'L',
"CCC": 'P',
"CAC": 'H',
"CGC": 'R',
"CTA": 'L',
"CCA": 'P',
"CAA": 'Q',
"CGA": 'R',
"CTG": 'L',
"CCG": 'P',
"CAG": 'Q',
"CGG": 'R',
"ATT": 'I',
"ACT": 'T',
"AAT": 'N',
"AGT": 'S',
"ATC": 'I',
"ACC": 'T',
"AAC": 'N',
"AGC": 'S',
"ATA": 'I',
"ACA": 'T',
"AAA": 'K',
"AGA": 'R',
"ATG": 'M',
"ACG": 'T',
"AAG": 'K',
"AGG": 'R',
"GTT": 'V',
"GCT": 'A',
"GAT": 'D',
"GGT": 'G',
"GTC": 'V',
"GCC": 'A',
"GAC": 'D',
"GGC": 'G',
"GTA": 'V',
"GCA": 'A',
"GAA": 'E',
"GGA": 'G',
"GTG": 'V',
"GCG": 'A',
"GAG": 'E',
"GGG": 'G',
}
)
const (
nCode = uint8(0)
aCode = uint8(1)
cCode = uint8(2)
tCode = uint8(3)
uCode = uint8(3)
gCode = uint8(4)
stopByte = '*'
unknown = 'X'
// Length of the array to store code/bytes
// uses gCode because it's the biggest uint8 of all codes
arrayCodeSize = (uint32(gCode) | uint32(gCode)<<8 | uint32(gCode)<<16) + 1
)
func createCodeArray(clean bool) byte {
resultMap := map[uint32]byte{}
twoLetterMap := map[string]byte{}
tmpCode := make(uint8, 4)
for codon, aaCode := range standard {
// generate 3 letter code
for i := 0; i < 3; i++ {
tmpCode[i] = letterCode[codon[i]]
}
// each codon is represented by an unique uint32:
// each possible nucleotide is represented by an uint8 (255 possibility)
// the three first bytes are the the code for each nucleotide
// last byte is unused ( eq to uint8(0) )
// example:
// codon 'ACG' ==> uint32(aCode) | uint32(cCode)<<8 | uint32(gCode)<<16
uint32Code := uint32(tmpCode[0]) | uint32(tmpCode[1])<<8 | uint32(tmpCode[2])<<16
resultMap[uint32Code] = aaCode
// generate 2 letter code
codes, ok := twoLetterMap[codon[0:2]]
if !ok {
twoLetterMap[codon[0:2]] = byte{aaCode}
} else {
twoLetterMap[codon[0:2]] = append(codes, aaCode)
}
}
for twoLetterCodon, codes := range twoLetterMap {
uniqueAA := true
for i := 0; i < len(codes); i++ {
if codes[i] != codes[0] {
uniqueAA = false
}
}
if uniqueAA {
first := letterCode[twoLetterCodon[0]]
second := letterCode[twoLetterCodon[1]]
uint32Code := uint32(first) | uint32(second)<<8
resultMap[uint32Code] = codes[0]
}
}
// if clean is specified, we want to replace all '*' by 'X' in the output
// sequence, so replace all occurrences of '*' directly in the ref map
if clean {
for k, v := range resultMap {
if v == stopByte {
resultMap[k] = unknown
}
}
}
r := make(byte, arrayCodeSize)
for k, v := range resultMap {
r[k] = v
}
return r
}
func computeFrames(frameName string) (frames int, reverse bool, err error) {
frames = make(int, 6)
reverse = false
switch frameName {
case "1":
frames[0] = 1
case "2":
frames[1] = 1
case "3":
frames[2] = 1
case "F":
for i := 0; i < 3; i++ {
frames[i] = 1
}
case "-1":
frames[3] = 1
reverse = true
case "-2":
frames[4] = 1
reverse = true
case "-3":
frames[5] = 1
reverse = true
case "R":
for i := 3; i < 6; i++ {
frames[i] = 1
}
reverse = true
case "6":
for i := range frames {
frames[i] = 1
}
reverse = true
default:
err = fmt.Errorf("wrong value for -f | --frame parameter: %s", frameName)
}
return frames, reverse, err
}
type writer struct {
buf *bytes.Buffer
currentLineLen int
bytesToTrim int
}
func (w *writer) addByte(b byte) {
w.buf.WriteByte(b)
w.currentLineLen++
if b == stopByte || b == unknown {
w.bytesToTrim++
} else {
w.bytesToTrim = 0
}
}
func (w *writer) addUnknown() {
w.buf.WriteByte(unknown)
w.currentLineLen++
w.bytesToTrim++
}
func (w *writer) newLine() {
w.buf.WriteByte('n')
w.currentLineLen = 0
w.bytesToTrim++
}
const (
// size of the buffer for writing to file
maxBufferSize = 1024 * 1024 * 30
// max line size for sequence
maxLineSize = 60
// suffixes ta add to sequence id for each frame
suffixes = "123456"
)
// Translate read a fata file, translate each sequence to the corresponding prot sequence in the specified frame
func Translate(inputSequence io.Reader, out io.Writer, frame string, clean, trim, alternative bool) error {
arrayCode := createCodeArray(clean)
framesToGenerate, reverse, err := computeFrames(frame)
if err != nil {
return err
}
fnaSequences := make(chan encodedSequence, 10)
errs := make(chan error, 1)
var wg sync.WaitGroup
ctx, cancel := context.WithCancel(context.Background())
defer cancel()
for nWorker := 0; nWorker < runtime.NumCPU(); nWorker++ {
wg.Add(1)
go func() {
defer wg.Done()
startPosition := make(int, 3)
w := &writer{
buf: bytes.NewBuffer(nil),
bytesToTrim: 0,
currentLineLen: 0,
}
for sequence := range fnaSequences {
select {
case <-ctx.Done():
return
default:
}
frameIndex := 0
startPosition[0], startPosition[1], startPosition[2] = 0, 1, 2
idSize := int(binary.LittleEndian.Uint32(sequence[0:4]))
nuclSeqLength := len(sequence) - idSize
Translate:
for _, startPos := range startPosition {
if framesToGenerate[frameIndex] == 0 {
frameIndex++
continue
}
// sequence id should look like
// >sequenceID_<frame> comment
idEnd := bytes.IndexByte(sequence[4:idSize], ' ')
if idEnd != -1 {
w.buf.Write(sequence[4 : 4+idEnd])
w.buf.WriteByte('_')
w.buf.WriteByte(suffixes[frameIndex])
w.buf.Write(sequence[4+idEnd : idSize])
} else {
w.buf.Write(sequence[4:idSize])
w.buf.WriteByte('_')
w.buf.WriteByte(suffixes[frameIndex])
}
w.newLine()
// if in trim mode, nb of bytes to trim (nb of successive 'X', '*' and 'n'
// from right end of the sequence)
w.bytesToTrim = 0
w.currentLineLen = 0
// read the sequence 3 letters at a time, starting at a specific position
// corresponding to the frame
for pos := startPos + 2 + idSize; pos < len(sequence); pos += 3 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
// create an uint32 from the codon, to retrieve the corresponding
// AA from the map
codonCode := uint32(sequence[pos-2]) | uint32(sequence[pos-1])<<8 | uint32(sequence[pos])<<16
b := arrayCode[codonCode]
if b != byte(0) {
w.addByte(b)
} else {
w.addUnknown()
}
}
// the last codon is only 2 nucleotid long, try to guess
// the corresponding AA
if (nuclSeqLength-startPos)%3 == 2 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
codonCode := uint32(sequence[len(sequence)-2]) | uint32(sequence[len(sequence)-1])<<8
b := arrayCode[codonCode]
if b != byte(0) {
w.addByte(b)
} else {
w.addUnknown()
}
}
// the last codon is only 1 nucleotid long, no way to guess
// the corresponding AA
if (nuclSeqLength-startPos)%3 == 1 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
w.addUnknown()
}
if trim && w.bytesToTrim > 0 {
// remove the last bytesToTrim bytes of the buffer
// as they are 'X', '*' or 'n'
w.buf.Truncate(w.buf.Len() - w.bytesToTrim)
w.currentLineLen -= w.bytesToTrim
}
if w.currentLineLen != 0 {
w.newLine()
}
frameIndex++
}
if reverse && frameIndex < 6 {
// get the complementary sequence.
// Basically, switch
// A <-> T
// C <-> G
// N is not modified
for i, n := range sequence[idSize:] {
switch n {
case aCode:
sequence[i+idSize] = tCode
case tCode:
// handle both tCode and uCode
sequence[i+idSize] = aCode
case cCode:
sequence[i+idSize] = gCode
case gCode:
sequence[i+idSize] = cCode
default:
//case N -> leave it
}
}
// reverse the sequence
for i, j := idSize, len(sequence)-1; i < j; i, j = i+1, j-1 {
sequence[i], sequence[j] = sequence[j], sequence[i]
}
if !alternative {
// Staden convention: Frame -1 is the reverse-complement of the sequence
// having the same codon phase as frame 1. Frame -2 is the same phase as
// frame 2. Frame -3 is the same phase as frame 3
//
// use the matrix to keep track of the forward frame as it depends on the
// length of the sequence
switch nuclSeqLength % 3 {
case 0:
startPosition[0], startPosition[1], startPosition[2] = 0, 2, 1
case 1:
startPosition[0], startPosition[1], startPosition[2] = 1, 0, 2
case 2:
startPosition[0], startPosition[1], startPosition[2] = 2, 1, 0
}
}
// run the same loop, but with the reverse-complemented sequence
goto Translate
}
if w.buf.Len() > maxBufferSize {
_, err := out.Write(w.buf.Bytes())
if err != nil {
select {
case errs <- fmt.Errorf("fail to write to output file: %v", err):
default:
}
cancel()
return
}
w.buf.Reset()
}
pool.Put(sequence)
}
if w.buf.Len() > 0 {
_, err := out.Write(w.buf.Bytes())
if err != nil {
select {
case errs <- fmt.Errorf("fail to write to output file: %v", err):
default:
}
cancel()
return
}
}
}()
}
readSequenceFromFasta(ctx, inputSequence, fnaSequences)
wg.Wait()
select {
case err, ok := <-errs:
if ok {
return err
}
default:
}
return nil
}
func readSequenceFromFasta(ctx context.Context, inputSequence io.Reader, fnaSequences chan encodedSequence) {
feeder := &fastaChannelFeeder{
idBuffer: bytes.NewBuffer(nil),
commentBuffer: bytes.NewBuffer(nil),
sequenceBuffer: bytes.NewBuffer(nil),
fastaChan: fnaSequences,
}
// fasta format is:
//
// >sequenceID some comments on sequence
// ACAGGCAGAGACACGACAGACGACGACACAGGAGCAGACAGCAGCAGACGACCACATATT
// TTTGCGGTCACATGACGACTTCGGCAGCGA
//
// see https://blast.ncbi.nlm.nih.gov/Blast.cgi?CMD=Web&PAGE_TYPE=BlastDocs&DOC_TYPE=BlastHelp
// section 1 for details
scanner := bufio.NewScanner(inputSequence)
Loop:
for scanner.Scan() {
line := scanner.Bytes()
if len(line) == 0 {
continue
}
if line[0] == '>' {
if feeder.idBuffer.Len() > 0 {
select {
case <-ctx.Done():
break Loop
default:
}
feeder.sendFasta()
}
feeder.reset()
// parse the ID of the sequence. ID is formatted like this:
// >sequenceID comments
seqID := bytes.SplitN(line, byte{' '}, 2)
feeder.idBuffer.Write(seqID[0])
if len(seqID) > 1 {
feeder.commentBuffer.WriteByte(' ')
feeder.commentBuffer.Write(seqID[1])
}
} else {
// if the line doesn't start with '>', then it's a part of the
// nucleotide sequence, so write it to the buffer
feeder.sequenceBuffer.Write(line)
}
}
// don't forget to push last sequence
select {
case <-ctx.Done():
default:
feeder.sendFasta()
}
close(fnaSequences)
}
// a type to hold an encoded fasta sequence
//
// s[0:4] stores the size of the sequence id + the size of the comment as an uint32 (little endian)
// s[4:idSize] stores the sequence id, and the comment id there is one
// s[idSize:] stores the nucl sequence
type encodedSequence byte
var pool = sync.Pool{
New: func() interface{} {
return make(encodedSequence, 512)
},
}
func getSizedSlice(idSize, requiredSize int) encodedSequence {
s := pool.Get().(encodedSequence)
binary.LittleEndian.PutUint32(s[0:4], uint32(idSize))
for len(s) < requiredSize {
s = append(s, byte(0))
}
return s[0:requiredSize]
}
func (f *fastaChannelFeeder) sendFasta() {
idSize := 4 + f.idBuffer.Len() + f.commentBuffer.Len()
requiredSize := idSize + f.sequenceBuffer.Len()
s := getSizedSlice(idSize, requiredSize)
if f.commentBuffer.Len() > 0 {
copy(s[idSize-f.commentBuffer.Len():idSize], f.commentBuffer.Bytes())
}
copy(s[4:4+f.idBuffer.Len()], f.idBuffer.Bytes())
// convert the sequence of bytes to an array of uint8 codes,
// so a codon (3 nucleotides | 3 bytes ) can be represented
// as an uint32
for i, b := range f.sequenceBuffer.Bytes() {
switch b {
case 'A':
s[i+idSize] = aCode
case 'C':
s[i+idSize] = cCode
case 'G':
s[i+idSize] = gCode
case 'T', 'U':
s[i+idSize] = tCode
case 'N':
s[i+idSize] = nCode
default:
fmt.Printf("WARNING: invalid char in sequence %s: %s, ignoring", s[4:4+idSize], string(b))
}
}
f.fastaChan <- s
}
type fastaChannelFeeder struct {
idBuffer, commentBuffer, sequenceBuffer *bytes.Buffer
fastaChan chan encodedSequence
}
func (f *fastaChannelFeeder) reset() {
f.idBuffer.Reset()
f.sequenceBuffer.Reset()
f.commentBuffer.Reset()
}
performance go bioinformatics multiprocessing
edited 5 mins ago
200_success
128k15149412
asked 1 hour ago
felix
70339
add a comment |
up vote
1
down vote
favorite
Goal of the program
The goal of the program is to translate a nucleic acid sequence into its corresponding amino acid sequence. The nucleic sequences
have to be formatted in a specific format called fasta. There is an existing implementation of this program in C here: emboss transeq
Fasta format
A fasta file looks like this:
>sequenceId comment
nucleic sequence
for example:
>Seq1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
CCTTTATCTAATCTTTGGAGCATGAGCTGGCATAGTTGGAACCGCCCTCAGCCTCCTCATCCGTGCAGAA
CCCAGTCCTGTACCAACACCTCTTCTGATTCTTCGGCCATCCAGAAGTCTATATCCTCATTTTAC
>Seq2 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GGTAGGTACCGCCCTAAGNCTCCTAATCCGAGCAGAACTANGCCAACCCGGAGCCCTTCTGGGAGACGAC
AATCAACATAAAA
A nucleic sequence is a string composed of the letters A, C, T, G, U, N
Expected output
A combinaison of 3 nucleic acid, named codon, gives a specif amino acid, for exemple GCT is the code for Alanine, symbolised by the letter A
With the Seq1 define above:
codon CCT TTA TCT AAT CTT TGG AGC ATG ...
amino acid P L S N L W S M ...
The expected output is:
>Seq1_1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
PLSNLWSMSWHSWNRPQPPHPCRTQSCTNTSSDSSAIQKSISSFY
>Seq2_1 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GRYRPKXPNPSRTXPTRSPSGRRQST*X
Specific rules
The program takes 4 parameters:
clean: if true, write STOP codon asXinstead of*
trim: if true, remove allXand*chars from the right end of the amino - acid sequence
alternative: different way to compute reverse frame
frame: a string value in["1", "2", "3", "F", "-1", "-2", "-3", "R", "6" ]
The frame define the position in the nucleic sequence to start from:
-frame 1
|-frame 2
||-frame 3
|||
CCTTTATCTAATCTTTGGAGCATGAGCTGGCATAGTTGGAACCGCCCTCAGCCTCCTCATCCGTGCAGAA
CCCAGTCCTGTACCAACACCTCTTCTGATTCTTCGGCCATCCAGAAGTCTATATCCTCATTTTAC
|||
||-frame -1
|-frame -2
-frame -3
frame "F" = "1", "2", "3"
frame "R" = "-1", "-2", "-3"
frame "6" = "1", "2", "3", "-1", "-2", "-3"
In the output file, we add the frame used to the sequenceId: sequenceId = sequenceId_frame
For example if the program is used with frame=6, the expected output is
>Seq1_1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
PLSNLWSMSWHSWNRPQPPHPCRTQSCTNTSSDSSAIQKSISSFY
>Seq1_2 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
LYLIFGA*AGIVGTALSLLIRAEPSPVPTPLLILRPSRSLYPHFT
>Seq1_3 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
FI*SLEHELA*LEPPSASSSVQNPVLYQHLF*FFGHPEVYILILX
>Seq1_4 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
VK*GYRLLDGRRIRRGVGTGLGSARMRRLRAVPTMPAHAPKIR*R
>Seq1_5 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
KMRI*TSGWPKNQKRCWYRTGFCTDEEAEGGSNYASSCSKD*IKX
>Seq1_6 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
*NEDIDFWMAEESEEVLVQDWVLHG*GG*GRFQLCQLMLQRLDKG
>Seq2_1 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GRYRPKXPNPSRTXPTRSPSGRRQST*X
>Seq2_2 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
VGTALXLLIRAELXQPGALLGDDNQHKX
>Seq2_3 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
*VPP*XS*SEQNXANPEPFWETTINIK
>Seq2_4 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
LC*LSSPRRAPGWXSSARIRXLRAVPT
>Seq2_5 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
FMLIVVSQKGSGLA*FCSD*EX*GGTYX
>Seq2_6 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
FYVDCRLPEGLRVGXVLLGLGXLGRYLP
Improvements
- Is the code easy to read / understand ?
- Is the code idiomatic ?
- Any other improvements (performance, doc...)
( full project with tests + flags handling is avaible on github: gotranseq)
code :
package transeq
import (
"bufio"
"bytes"
"context"
"encoding/binary"
"fmt"
"io"
"runtime"
"sync"
)
var (
letterCode = map[byte]uint8{
'A': aCode,
'C': cCode,
'T': tCode,
'G': gCode,
'N': nCode,
'U': uCode,
}
standard = map[string]byte{
"TTT": 'F',
"TCT": 'S',
"TAT": 'Y',
"TGT": 'C',
"TTC": 'F',
"TCC": 'S',
"TAC": 'Y',
"TGC": 'C',
"TTA": 'L',
"TCA": 'S',
"TAA": '*',
"TGA": '*',
"TTG": 'L',
"TCG": 'S',
"TAG": '*',
"TGG": 'W',
"CTT": 'L',
"CCT": 'P',
"CAT": 'H',
"CGT": 'R',
"CTC": 'L',
"CCC": 'P',
"CAC": 'H',
"CGC": 'R',
"CTA": 'L',
"CCA": 'P',
"CAA": 'Q',
"CGA": 'R',
"CTG": 'L',
"CCG": 'P',
"CAG": 'Q',
"CGG": 'R',
"ATT": 'I',
"ACT": 'T',
"AAT": 'N',
"AGT": 'S',
"ATC": 'I',
"ACC": 'T',
"AAC": 'N',
"AGC": 'S',
"ATA": 'I',
"ACA": 'T',
"AAA": 'K',
"AGA": 'R',
"ATG": 'M',
"ACG": 'T',
"AAG": 'K',
"AGG": 'R',
"GTT": 'V',
"GCT": 'A',
"GAT": 'D',
"GGT": 'G',
"GTC": 'V',
"GCC": 'A',
"GAC": 'D',
"GGC": 'G',
"GTA": 'V',
"GCA": 'A',
"GAA": 'E',
"GGA": 'G',
"GTG": 'V',
"GCG": 'A',
"GAG": 'E',
"GGG": 'G',
}
)
const (
nCode = uint8(0)
aCode = uint8(1)
cCode = uint8(2)
tCode = uint8(3)
uCode = uint8(3)
gCode = uint8(4)
stopByte = '*'
unknown = 'X'
// Length of the array to store code/bytes
// uses gCode because it's the biggest uint8 of all codes
arrayCodeSize = (uint32(gCode) | uint32(gCode)<<8 | uint32(gCode)<<16) + 1
)
func createCodeArray(clean bool) byte {
resultMap := map[uint32]byte{}
twoLetterMap := map[string]byte{}
tmpCode := make(uint8, 4)
for codon, aaCode := range standard {
// generate 3 letter code
for i := 0; i < 3; i++ {
tmpCode[i] = letterCode[codon[i]]
}
// each codon is represented by an unique uint32:
// each possible nucleotide is represented by an uint8 (255 possibility)
// the three first bytes are the the code for each nucleotide
// last byte is unused ( eq to uint8(0) )
// example:
// codon 'ACG' ==> uint32(aCode) | uint32(cCode)<<8 | uint32(gCode)<<16
uint32Code := uint32(tmpCode[0]) | uint32(tmpCode[1])<<8 | uint32(tmpCode[2])<<16
resultMap[uint32Code] = aaCode
// generate 2 letter code
codes, ok := twoLetterMap[codon[0:2]]
if !ok {
twoLetterMap[codon[0:2]] = byte{aaCode}
} else {
twoLetterMap[codon[0:2]] = append(codes, aaCode)
}
}
for twoLetterCodon, codes := range twoLetterMap {
uniqueAA := true
for i := 0; i < len(codes); i++ {
if codes[i] != codes[0] {
uniqueAA = false
}
}
if uniqueAA {
first := letterCode[twoLetterCodon[0]]
second := letterCode[twoLetterCodon[1]]
uint32Code := uint32(first) | uint32(second)<<8
resultMap[uint32Code] = codes[0]
}
}
// if clean is specified, we want to replace all '*' by 'X' in the output
// sequence, so replace all occurrences of '*' directly in the ref map
if clean {
for k, v := range resultMap {
if v == stopByte {
resultMap[k] = unknown
}
}
}
r := make(byte, arrayCodeSize)
for k, v := range resultMap {
r[k] = v
}
return r
}
func computeFrames(frameName string) (frames int, reverse bool, err error) {
frames = make(int, 6)
reverse = false
switch frameName {
case "1":
frames[0] = 1
case "2":
frames[1] = 1
case "3":
frames[2] = 1
case "F":
for i := 0; i < 3; i++ {
frames[i] = 1
}
case "-1":
frames[3] = 1
reverse = true
case "-2":
frames[4] = 1
reverse = true
case "-3":
frames[5] = 1
reverse = true
case "R":
for i := 3; i < 6; i++ {
frames[i] = 1
}
reverse = true
case "6":
for i := range frames {
frames[i] = 1
}
reverse = true
default:
err = fmt.Errorf("wrong value for -f | --frame parameter: %s", frameName)
}
return frames, reverse, err
}
type writer struct {
buf *bytes.Buffer
currentLineLen int
bytesToTrim int
}
func (w *writer) addByte(b byte) {
w.buf.WriteByte(b)
w.currentLineLen++
if b == stopByte || b == unknown {
w.bytesToTrim++
} else {
w.bytesToTrim = 0
}
}
func (w *writer) addUnknown() {
w.buf.WriteByte(unknown)
w.currentLineLen++
w.bytesToTrim++
}
func (w *writer) newLine() {
w.buf.WriteByte('n')
w.currentLineLen = 0
w.bytesToTrim++
}
const (
// size of the buffer for writing to file
maxBufferSize = 1024 * 1024 * 30
// max line size for sequence
maxLineSize = 60
// suffixes ta add to sequence id for each frame
suffixes = "123456"
)
// Translate read a fata file, translate each sequence to the corresponding prot sequence in the specified frame
func Translate(inputSequence io.Reader, out io.Writer, frame string, clean, trim, alternative bool) error {
arrayCode := createCodeArray(clean)
framesToGenerate, reverse, err := computeFrames(frame)
if err != nil {
return err
}
fnaSequences := make(chan encodedSequence, 10)
errs := make(chan error, 1)
var wg sync.WaitGroup
ctx, cancel := context.WithCancel(context.Background())
defer cancel()
for nWorker := 0; nWorker < runtime.NumCPU(); nWorker++ {
wg.Add(1)
go func() {
defer wg.Done()
startPosition := make(int, 3)
w := &writer{
buf: bytes.NewBuffer(nil),
bytesToTrim: 0,
currentLineLen: 0,
}
for sequence := range fnaSequences {
select {
case <-ctx.Done():
return
default:
}
frameIndex := 0
startPosition[0], startPosition[1], startPosition[2] = 0, 1, 2
idSize := int(binary.LittleEndian.Uint32(sequence[0:4]))
nuclSeqLength := len(sequence) - idSize
Translate:
for _, startPos := range startPosition {
if framesToGenerate[frameIndex] == 0 {
frameIndex++
continue
}
// sequence id should look like
// >sequenceID_<frame> comment
idEnd := bytes.IndexByte(sequence[4:idSize], ' ')
if idEnd != -1 {
w.buf.Write(sequence[4 : 4+idEnd])
w.buf.WriteByte('_')
w.buf.WriteByte(suffixes[frameIndex])
w.buf.Write(sequence[4+idEnd : idSize])
} else {
w.buf.Write(sequence[4:idSize])
w.buf.WriteByte('_')
w.buf.WriteByte(suffixes[frameIndex])
}
w.newLine()
// if in trim mode, nb of bytes to trim (nb of successive 'X', '*' and 'n'
// from right end of the sequence)
w.bytesToTrim = 0
w.currentLineLen = 0
// read the sequence 3 letters at a time, starting at a specific position
// corresponding to the frame
for pos := startPos + 2 + idSize; pos < len(sequence); pos += 3 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
// create an uint32 from the codon, to retrieve the corresponding
// AA from the map
codonCode := uint32(sequence[pos-2]) | uint32(sequence[pos-1])<<8 | uint32(sequence[pos])<<16
b := arrayCode[codonCode]
if b != byte(0) {
w.addByte(b)
} else {
w.addUnknown()
}
}
// the last codon is only 2 nucleotid long, try to guess
// the corresponding AA
if (nuclSeqLength-startPos)%3 == 2 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
codonCode := uint32(sequence[len(sequence)-2]) | uint32(sequence[len(sequence)-1])<<8
b := arrayCode[codonCode]
if b != byte(0) {
w.addByte(b)
} else {
w.addUnknown()
}
}
// the last codon is only 1 nucleotid long, no way to guess
// the corresponding AA
if (nuclSeqLength-startPos)%3 == 1 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
w.addUnknown()
}
if trim && w.bytesToTrim > 0 {
// remove the last bytesToTrim bytes of the buffer
// as they are 'X', '*' or 'n'
w.buf.Truncate(w.buf.Len() - w.bytesToTrim)
w.currentLineLen -= w.bytesToTrim
}
if w.currentLineLen != 0 {
w.newLine()
}
frameIndex++
}
if reverse && frameIndex < 6 {
// get the complementary sequence.
// Basically, switch
// A <-> T
// C <-> G
// N is not modified
for i, n := range sequence[idSize:] {
switch n {
case aCode:
sequence[i+idSize] = tCode
case tCode:
// handle both tCode and uCode
sequence[i+idSize] = aCode
case cCode:
sequence[i+idSize] = gCode
case gCode:
sequence[i+idSize] = cCode
default:
//case N -> leave it
}
}
// reverse the sequence
for i, j := idSize, len(sequence)-1; i < j; i, j = i+1, j-1 {
sequence[i], sequence[j] = sequence[j], sequence[i]
}
if !alternative {
// Staden convention: Frame -1 is the reverse-complement of the sequence
// having the same codon phase as frame 1. Frame -2 is the same phase as
// frame 2. Frame -3 is the same phase as frame 3
//
// use the matrix to keep track of the forward frame as it depends on the
// length of the sequence
switch nuclSeqLength % 3 {
case 0:
startPosition[0], startPosition[1], startPosition[2] = 0, 2, 1
case 1:
startPosition[0], startPosition[1], startPosition[2] = 1, 0, 2
case 2:
startPosition[0], startPosition[1], startPosition[2] = 2, 1, 0
}
}
// run the same loop, but with the reverse-complemented sequence
goto Translate
}
if w.buf.Len() > maxBufferSize {
_, err := out.Write(w.buf.Bytes())
if err != nil {
select {
case errs <- fmt.Errorf("fail to write to output file: %v", err):
default:
}
cancel()
return
}
w.buf.Reset()
}
pool.Put(sequence)
}
if w.buf.Len() > 0 {
_, err := out.Write(w.buf.Bytes())
if err != nil {
select {
case errs <- fmt.Errorf("fail to write to output file: %v", err):
default:
}
cancel()
return
}
}
}()
}
readSequenceFromFasta(ctx, inputSequence, fnaSequences)
wg.Wait()
select {
case err, ok := <-errs:
if ok {
return err
}
default:
}
return nil
}
func readSequenceFromFasta(ctx context.Context, inputSequence io.Reader, fnaSequences chan encodedSequence) {
feeder := &fastaChannelFeeder{
idBuffer: bytes.NewBuffer(nil),
commentBuffer: bytes.NewBuffer(nil),
sequenceBuffer: bytes.NewBuffer(nil),
fastaChan: fnaSequences,
}
// fasta format is:
//
// >sequenceID some comments on sequence
// ACAGGCAGAGACACGACAGACGACGACACAGGAGCAGACAGCAGCAGACGACCACATATT
// TTTGCGGTCACATGACGACTTCGGCAGCGA
//
// see https://blast.ncbi.nlm.nih.gov/Blast.cgi?CMD=Web&PAGE_TYPE=BlastDocs&DOC_TYPE=BlastHelp
// section 1 for details
scanner := bufio.NewScanner(inputSequence)
Loop:
for scanner.Scan() {
line := scanner.Bytes()
if len(line) == 0 {
continue
}
if line[0] == '>' {
if feeder.idBuffer.Len() > 0 {
select {
case <-ctx.Done():
break Loop
default:
}
feeder.sendFasta()
}
feeder.reset()
// parse the ID of the sequence. ID is formatted like this:
// >sequenceID comments
seqID := bytes.SplitN(line, byte{' '}, 2)
feeder.idBuffer.Write(seqID[0])
if len(seqID) > 1 {
feeder.commentBuffer.WriteByte(' ')
feeder.commentBuffer.Write(seqID[1])
}
} else {
// if the line doesn't start with '>', then it's a part of the
// nucleotide sequence, so write it to the buffer
feeder.sequenceBuffer.Write(line)
}
}
// don't forget to push last sequence
select {
case <-ctx.Done():
default:
feeder.sendFasta()
}
close(fnaSequences)
}
// a type to hold an encoded fasta sequence
//
// s[0:4] stores the size of the sequence id + the size of the comment as an uint32 (little endian)
// s[4:idSize] stores the sequence id, and the comment id there is one
// s[idSize:] stores the nucl sequence
type encodedSequence byte
var pool = sync.Pool{
New: func() interface{} {
return make(encodedSequence, 512)
},
}
func getSizedSlice(idSize, requiredSize int) encodedSequence {
s := pool.Get().(encodedSequence)
binary.LittleEndian.PutUint32(s[0:4], uint32(idSize))
for len(s) < requiredSize {
s = append(s, byte(0))
}
return s[0:requiredSize]
}
func (f *fastaChannelFeeder) sendFasta() {
idSize := 4 + f.idBuffer.Len() + f.commentBuffer.Len()
requiredSize := idSize + f.sequenceBuffer.Len()
s := getSizedSlice(idSize, requiredSize)
if f.commentBuffer.Len() > 0 {
copy(s[idSize-f.commentBuffer.Len():idSize], f.commentBuffer.Bytes())
}
copy(s[4:4+f.idBuffer.Len()], f.idBuffer.Bytes())
// convert the sequence of bytes to an array of uint8 codes,
// so a codon (3 nucleotides | 3 bytes ) can be represented
// as an uint32
for i, b := range f.sequenceBuffer.Bytes() {
switch b {
case 'A':
s[i+idSize] = aCode
case 'C':
s[i+idSize] = cCode
case 'G':
s[i+idSize] = gCode
case 'T', 'U':
s[i+idSize] = tCode
case 'N':
s[i+idSize] = nCode
default:
fmt.Printf("WARNING: invalid char in sequence %s: %s, ignoring", s[4:4+idSize], string(b))
}
}
f.fastaChan <- s
}
type fastaChannelFeeder struct {
idBuffer, commentBuffer, sequenceBuffer *bytes.Buffer
fastaChan chan encodedSequence
}
func (f *fastaChannelFeeder) reset() {
f.idBuffer.Reset()
f.sequenceBuffer.Reset()
f.commentBuffer.Reset()
}
performance go bioinformatics multiprocessing
edited 5 mins ago
200_success
128k15149412
asked 1 hour ago
felix
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Goal of the program
The goal of the program is to translate a nucleic acid sequence into its corresponding amino acid sequence. The nucleic sequences
have to be formatted in a specific format called fasta. There is an existing implementation of this program in C here: emboss transeq
Fasta format
A fasta file looks like this:
>sequenceId comment
nucleic sequence
for example:
>Seq1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
CCTTTATCTAATCTTTGGAGCATGAGCTGGCATAGTTGGAACCGCCCTCAGCCTCCTCATCCGTGCAGAA
CCCAGTCCTGTACCAACACCTCTTCTGATTCTTCGGCCATCCAGAAGTCTATATCCTCATTTTAC
>Seq2 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GGTAGGTACCGCCCTAAGNCTCCTAATCCGAGCAGAACTANGCCAACCCGGAGCCCTTCTGGGAGACGAC
AATCAACATAAAA
A nucleic sequence is a string composed of the letters A, C, T, G, U, N
Expected output
A combinaison of 3 nucleic acid, named codon, gives a specif amino acid, for exemple GCT is the code for Alanine, symbolised by the letter A
With the Seq1 define above:
codon CCT TTA TCT AAT CTT TGG AGC ATG ...
amino acid P L S N L W S M ...
The expected output is:
>Seq1_1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
PLSNLWSMSWHSWNRPQPPHPCRTQSCTNTSSDSSAIQKSISSFY
>Seq2_1 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GRYRPKXPNPSRTXPTRSPSGRRQST*X
Specific rules
The program takes 4 parameters:
clean: if true, write STOP codon asXinstead of*
trim: if true, remove allXand*chars from the right end of the amino - acid sequence
alternative: different way to compute reverse frame
frame: a string value in["1", "2", "3", "F", "-1", "-2", "-3", "R", "6" ]
The frame define the position in the nucleic sequence to start from:
-frame 1
|-frame 2
||-frame 3
|||
CCTTTATCTAATCTTTGGAGCATGAGCTGGCATAGTTGGAACCGCCCTCAGCCTCCTCATCCGTGCAGAA
CCCAGTCCTGTACCAACACCTCTTCTGATTCTTCGGCCATCCAGAAGTCTATATCCTCATTTTAC
|||
||-frame -1
|-frame -2
-frame -3
frame "F" = "1", "2", "3"
frame "R" = "-1", "-2", "-3"
frame "6" = "1", "2", "3", "-1", "-2", "-3"
In the output file, we add the frame used to the sequenceId: sequenceId = sequenceId_frame
For example if the program is used with frame=6, the expected output is
>Seq1_1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
PLSNLWSMSWHSWNRPQPPHPCRTQSCTNTSSDSSAIQKSISSFY
>Seq1_2 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
LYLIFGA*AGIVGTALSLLIRAEPSPVPTPLLILRPSRSLYPHFT
>Seq1_3 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
FI*SLEHELA*LEPPSASSSVQNPVLYQHLF*FFGHPEVYILILX
>Seq1_4 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
VK*GYRLLDGRRIRRGVGTGLGSARMRRLRAVPTMPAHAPKIR*R
>Seq1_5 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
KMRI*TSGWPKNQKRCWYRTGFCTDEEAEGGSNYASSCSKD*IKX
>Seq1_6 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
*NEDIDFWMAEESEEVLVQDWVLHG*GG*GRFQLCQLMLQRLDKG
>Seq2_1 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GRYRPKXPNPSRTXPTRSPSGRRQST*X
>Seq2_2 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
VGTALXLLIRAELXQPGALLGDDNQHKX
>Seq2_3 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
*VPP*XS*SEQNXANPEPFWETTINIK
>Seq2_4 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
LC*LSSPRRAPGWXSSARIRXLRAVPT
>Seq2_5 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
FMLIVVSQKGSGLA*FCSD*EX*GGTYX
>Seq2_6 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
FYVDCRLPEGLRVGXVLLGLGXLGRYLP
Improvements
- Is the code easy to read / understand ?
- Is the code idiomatic ?
- Any other improvements (performance, doc...)
( full project with tests + flags handling is avaible on github: gotranseq)
code :
package transeq
import (
"bufio"
"bytes"
"context"
"encoding/binary"
"fmt"
"io"
"runtime"
"sync"
)
var (
letterCode = map[byte]uint8{
'A': aCode,
'C': cCode,
'T': tCode,
'G': gCode,
'N': nCode,
'U': uCode,
}
standard = map[string]byte{
"TTT": 'F',
"TCT": 'S',
"TAT": 'Y',
"TGT": 'C',
"TTC": 'F',
"TCC": 'S',
"TAC": 'Y',
"TGC": 'C',
"TTA": 'L',
"TCA": 'S',
"TAA": '*',
"TGA": '*',
"TTG": 'L',
"TCG": 'S',
"TAG": '*',
"TGG": 'W',
"CTT": 'L',
"CCT": 'P',
"CAT": 'H',
"CGT": 'R',
"CTC": 'L',
"CCC": 'P',
"CAC": 'H',
"CGC": 'R',
"CTA": 'L',
"CCA": 'P',
"CAA": 'Q',
"CGA": 'R',
"CTG": 'L',
"CCG": 'P',
"CAG": 'Q',
"CGG": 'R',
"ATT": 'I',
"ACT": 'T',
"AAT": 'N',
"AGT": 'S',
"ATC": 'I',
"ACC": 'T',
"AAC": 'N',
"AGC": 'S',
"ATA": 'I',
"ACA": 'T',
"AAA": 'K',
"AGA": 'R',
"ATG": 'M',
"ACG": 'T',
"AAG": 'K',
"AGG": 'R',
"GTT": 'V',
"GCT": 'A',
"GAT": 'D',
"GGT": 'G',
"GTC": 'V',
"GCC": 'A',
"GAC": 'D',
"GGC": 'G',
"GTA": 'V',
"GCA": 'A',
"GAA": 'E',
"GGA": 'G',
"GTG": 'V',
"GCG": 'A',
"GAG": 'E',
"GGG": 'G',
}
)
const (
nCode = uint8(0)
aCode = uint8(1)
cCode = uint8(2)
tCode = uint8(3)
uCode = uint8(3)
gCode = uint8(4)
stopByte = '*'
unknown = 'X'
// Length of the array to store code/bytes
// uses gCode because it's the biggest uint8 of all codes
arrayCodeSize = (uint32(gCode) | uint32(gCode)<<8 | uint32(gCode)<<16) + 1
)
func createCodeArray(clean bool) byte {
resultMap := map[uint32]byte{}
twoLetterMap := map[string]byte{}
tmpCode := make(uint8, 4)
for codon, aaCode := range standard {
// generate 3 letter code
for i := 0; i < 3; i++ {
tmpCode[i] = letterCode[codon[i]]
}
// each codon is represented by an unique uint32:
// each possible nucleotide is represented by an uint8 (255 possibility)
// the three first bytes are the the code for each nucleotide
// last byte is unused ( eq to uint8(0) )
// example:
// codon 'ACG' ==> uint32(aCode) | uint32(cCode)<<8 | uint32(gCode)<<16
uint32Code := uint32(tmpCode[0]) | uint32(tmpCode[1])<<8 | uint32(tmpCode[2])<<16
resultMap[uint32Code] = aaCode
// generate 2 letter code
codes, ok := twoLetterMap[codon[0:2]]
if !ok {
twoLetterMap[codon[0:2]] = byte{aaCode}
} else {
twoLetterMap[codon[0:2]] = append(codes, aaCode)
}
}
for twoLetterCodon, codes := range twoLetterMap {
uniqueAA := true
for i := 0; i < len(codes); i++ {
if codes[i] != codes[0] {
uniqueAA = false
}
}
if uniqueAA {
first := letterCode[twoLetterCodon[0]]
second := letterCode[twoLetterCodon[1]]
uint32Code := uint32(first) | uint32(second)<<8
resultMap[uint32Code] = codes[0]
}
}
// if clean is specified, we want to replace all '*' by 'X' in the output
// sequence, so replace all occurrences of '*' directly in the ref map
if clean {
for k, v := range resultMap {
if v == stopByte {
resultMap[k] = unknown
}
}
}
r := make(byte, arrayCodeSize)
for k, v := range resultMap {
r[k] = v
}
return r
}
func computeFrames(frameName string) (frames int, reverse bool, err error) {
frames = make(int, 6)
reverse = false
switch frameName {
case "1":
frames[0] = 1
case "2":
frames[1] = 1
case "3":
frames[2] = 1
case "F":
for i := 0; i < 3; i++ {
frames[i] = 1
}
case "-1":
frames[3] = 1
reverse = true
case "-2":
frames[4] = 1
reverse = true
case "-3":
frames[5] = 1
reverse = true
case "R":
for i := 3; i < 6; i++ {
frames[i] = 1
}
reverse = true
case "6":
for i := range frames {
frames[i] = 1
}
reverse = true
default:
err = fmt.Errorf("wrong value for -f | --frame parameter: %s", frameName)
}
return frames, reverse, err
}
type writer struct {
buf *bytes.Buffer
currentLineLen int
bytesToTrim int
}
func (w *writer) addByte(b byte) {
w.buf.WriteByte(b)
w.currentLineLen++
if b == stopByte || b == unknown {
w.bytesToTrim++
} else {
w.bytesToTrim = 0
}
}
func (w *writer) addUnknown() {
w.buf.WriteByte(unknown)
w.currentLineLen++
w.bytesToTrim++
}
func (w *writer) newLine() {
w.buf.WriteByte('n')
w.currentLineLen = 0
w.bytesToTrim++
}
const (
// size of the buffer for writing to file
maxBufferSize = 1024 * 1024 * 30
// max line size for sequence
maxLineSize = 60
// suffixes ta add to sequence id for each frame
suffixes = "123456"
)
// Translate read a fata file, translate each sequence to the corresponding prot sequence in the specified frame
func Translate(inputSequence io.Reader, out io.Writer, frame string, clean, trim, alternative bool) error {
arrayCode := createCodeArray(clean)
framesToGenerate, reverse, err := computeFrames(frame)
if err != nil {
return err
}
fnaSequences := make(chan encodedSequence, 10)
errs := make(chan error, 1)
var wg sync.WaitGroup
ctx, cancel := context.WithCancel(context.Background())
defer cancel()
for nWorker := 0; nWorker < runtime.NumCPU(); nWorker++ {
wg.Add(1)
go func() {
defer wg.Done()
startPosition := make(int, 3)
w := &writer{
buf: bytes.NewBuffer(nil),
bytesToTrim: 0,
currentLineLen: 0,
}
for sequence := range fnaSequences {
select {
case <-ctx.Done():
return
default:
}
frameIndex := 0
startPosition[0], startPosition[1], startPosition[2] = 0, 1, 2
idSize := int(binary.LittleEndian.Uint32(sequence[0:4]))
nuclSeqLength := len(sequence) - idSize
Translate:
for _, startPos := range startPosition {
if framesToGenerate[frameIndex] == 0 {
frameIndex++
continue
}
// sequence id should look like
// >sequenceID_<frame> comment
idEnd := bytes.IndexByte(sequence[4:idSize], ' ')
if idEnd != -1 {
w.buf.Write(sequence[4 : 4+idEnd])
w.buf.WriteByte('_')
w.buf.WriteByte(suffixes[frameIndex])
w.buf.Write(sequence[4+idEnd : idSize])
} else {
w.buf.Write(sequence[4:idSize])
w.buf.WriteByte('_')
w.buf.WriteByte(suffixes[frameIndex])
}
w.newLine()
// if in trim mode, nb of bytes to trim (nb of successive 'X', '*' and 'n'
// from right end of the sequence)
w.bytesToTrim = 0
w.currentLineLen = 0
// read the sequence 3 letters at a time, starting at a specific position
// corresponding to the frame
for pos := startPos + 2 + idSize; pos < len(sequence); pos += 3 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
// create an uint32 from the codon, to retrieve the corresponding
// AA from the map
codonCode := uint32(sequence[pos-2]) | uint32(sequence[pos-1])<<8 | uint32(sequence[pos])<<16
b := arrayCode[codonCode]
if b != byte(0) {
w.addByte(b)
} else {
w.addUnknown()
}
}
// the last codon is only 2 nucleotid long, try to guess
// the corresponding AA
if (nuclSeqLength-startPos)%3 == 2 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
codonCode := uint32(sequence[len(sequence)-2]) | uint32(sequence[len(sequence)-1])<<8
b := arrayCode[codonCode]
if b != byte(0) {
w.addByte(b)
} else {
w.addUnknown()
}
}
// the last codon is only 1 nucleotid long, no way to guess
// the corresponding AA
if (nuclSeqLength-startPos)%3 == 1 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
w.addUnknown()
}
if trim && w.bytesToTrim > 0 {
// remove the last bytesToTrim bytes of the buffer
// as they are 'X', '*' or 'n'
w.buf.Truncate(w.buf.Len() - w.bytesToTrim)
w.currentLineLen -= w.bytesToTrim
}
if w.currentLineLen != 0 {
w.newLine()
}
frameIndex++
}
if reverse && frameIndex < 6 {
// get the complementary sequence.
// Basically, switch
// A <-> T
// C <-> G
// N is not modified
for i, n := range sequence[idSize:] {
switch n {
case aCode:
sequence[i+idSize] = tCode
case tCode:
// handle both tCode and uCode
sequence[i+idSize] = aCode
case cCode:
sequence[i+idSize] = gCode
case gCode:
sequence[i+idSize] = cCode
default:
//case N -> leave it
}
}
// reverse the sequence
for i, j := idSize, len(sequence)-1; i < j; i, j = i+1, j-1 {
sequence[i], sequence[j] = sequence[j], sequence[i]
}
if !alternative {
// Staden convention: Frame -1 is the reverse-complement of the sequence
// having the same codon phase as frame 1. Frame -2 is the same phase as
// frame 2. Frame -3 is the same phase as frame 3
//
// use the matrix to keep track of the forward frame as it depends on the
// length of the sequence
switch nuclSeqLength % 3 {
case 0:
startPosition[0], startPosition[1], startPosition[2] = 0, 2, 1
case 1:
startPosition[0], startPosition[1], startPosition[2] = 1, 0, 2
case 2:
startPosition[0], startPosition[1], startPosition[2] = 2, 1, 0
}
}
// run the same loop, but with the reverse-complemented sequence
goto Translate
}
if w.buf.Len() > maxBufferSize {
_, err := out.Write(w.buf.Bytes())
if err != nil {
select {
case errs <- fmt.Errorf("fail to write to output file: %v", err):
default:
}
cancel()
return
}
w.buf.Reset()
}
pool.Put(sequence)
}
if w.buf.Len() > 0 {
_, err := out.Write(w.buf.Bytes())
if err != nil {
select {
case errs <- fmt.Errorf("fail to write to output file: %v", err):
default:
}
cancel()
return
}
}
}()
}
readSequenceFromFasta(ctx, inputSequence, fnaSequences)
wg.Wait()
select {
case err, ok := <-errs:
if ok {
return err
}
default:
}
return nil
}
func readSequenceFromFasta(ctx context.Context, inputSequence io.Reader, fnaSequences chan encodedSequence) {
feeder := &fastaChannelFeeder{
idBuffer: bytes.NewBuffer(nil),
commentBuffer: bytes.NewBuffer(nil),
sequenceBuffer: bytes.NewBuffer(nil),
fastaChan: fnaSequences,
}
// fasta format is:
//
// >sequenceID some comments on sequence
// ACAGGCAGAGACACGACAGACGACGACACAGGAGCAGACAGCAGCAGACGACCACATATT
// TTTGCGGTCACATGACGACTTCGGCAGCGA
//
// see https://blast.ncbi.nlm.nih.gov/Blast.cgi?CMD=Web&PAGE_TYPE=BlastDocs&DOC_TYPE=BlastHelp
// section 1 for details
scanner := bufio.NewScanner(inputSequence)
Loop:
for scanner.Scan() {
line := scanner.Bytes()
if len(line) == 0 {
continue
}
if line[0] == '>' {
if feeder.idBuffer.Len() > 0 {
select {
case <-ctx.Done():
break Loop
default:
}
feeder.sendFasta()
}
feeder.reset()
// parse the ID of the sequence. ID is formatted like this:
// >sequenceID comments
seqID := bytes.SplitN(line, byte{' '}, 2)
feeder.idBuffer.Write(seqID[0])
if len(seqID) > 1 {
feeder.commentBuffer.WriteByte(' ')
feeder.commentBuffer.Write(seqID[1])
}
} else {
// if the line doesn't start with '>', then it's a part of the
// nucleotide sequence, so write it to the buffer
feeder.sequenceBuffer.Write(line)
}
}
// don't forget to push last sequence
select {
case <-ctx.Done():
default:
feeder.sendFasta()
}
close(fnaSequences)
}
// a type to hold an encoded fasta sequence
//
// s[0:4] stores the size of the sequence id + the size of the comment as an uint32 (little endian)
// s[4:idSize] stores the sequence id, and the comment id there is one
// s[idSize:] stores the nucl sequence
type encodedSequence byte
var pool = sync.Pool{
New: func() interface{} {
return make(encodedSequence, 512)
},
}
func getSizedSlice(idSize, requiredSize int) encodedSequence {
s := pool.Get().(encodedSequence)
binary.LittleEndian.PutUint32(s[0:4], uint32(idSize))
for len(s) < requiredSize {
s = append(s, byte(0))
}
return s[0:requiredSize]
}
func (f *fastaChannelFeeder) sendFasta() {
idSize := 4 + f.idBuffer.Len() + f.commentBuffer.Len()
requiredSize := idSize + f.sequenceBuffer.Len()
s := getSizedSlice(idSize, requiredSize)
if f.commentBuffer.Len() > 0 {
copy(s[idSize-f.commentBuffer.Len():idSize], f.commentBuffer.Bytes())
}
copy(s[4:4+f.idBuffer.Len()], f.idBuffer.Bytes())
// convert the sequence of bytes to an array of uint8 codes,
// so a codon (3 nucleotides | 3 bytes ) can be represented
// as an uint32
for i, b := range f.sequenceBuffer.Bytes() {
switch b {
case 'A':
s[i+idSize] = aCode
case 'C':
s[i+idSize] = cCode
case 'G':
s[i+idSize] = gCode
case 'T', 'U':
s[i+idSize] = tCode
case 'N':
s[i+idSize] = nCode
default:
fmt.Printf("WARNING: invalid char in sequence %s: %s, ignoring", s[4:4+idSize], string(b))
}
}
f.fastaChan <- s
}
type fastaChannelFeeder struct {
idBuffer, commentBuffer, sequenceBuffer *bytes.Buffer
fastaChan chan encodedSequence
}
func (f *fastaChannelFeeder) reset() {
f.idBuffer.Reset()
f.sequenceBuffer.Reset()
f.commentBuffer.Reset()
}
performance go bioinformatics multiprocessing
edited 5 mins ago
200_success
128k15149412
asked 1 hour ago
felix
70339
Goal of the program
The goal of the program is to translate a nucleic acid sequence into its corresponding amino acid sequence. The nucleic sequences
have to be formatted in a specific format called fasta. There is an existing implementation of this program in C here: emboss transeq
Fasta format
A fasta file looks like this:
>sequenceId comment
nucleic sequence
for example:
>Seq1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
CCTTTATCTAATCTTTGGAGCATGAGCTGGCATAGTTGGAACCGCCCTCAGCCTCCTCATCCGTGCAGAA
CCCAGTCCTGTACCAACACCTCTTCTGATTCTTCGGCCATCCAGAAGTCTATATCCTCATTTTAC
>Seq2 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GGTAGGTACCGCCCTAAGNCTCCTAATCCGAGCAGAACTANGCCAACCCGGAGCCCTTCTGGGAGACGAC
AATCAACATAAAA
A nucleic sequence is a string composed of the letters A, C, T, G, U, N
Expected output
A combinaison of 3 nucleic acid, named codon, gives a specif amino acid, for exemple GCT is the code for Alanine, symbolised by the letter A
With the Seq1 define above:
codon CCT TTA TCT AAT CTT TGG AGC ATG ...
amino acid P L S N L W S M ...
The expected output is:
>Seq1_1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
PLSNLWSMSWHSWNRPQPPHPCRTQSCTNTSSDSSAIQKSISSFY
>Seq2_1 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GRYRPKXPNPSRTXPTRSPSGRRQST*X
Specific rules
The program takes 4 parameters:
clean: if true, write STOP codon asXinstead of*
trim: if true, remove allXand*chars from the right end of the amino - acid sequence
alternative: different way to compute reverse frame
frame: a string value in["1", "2", "3", "F", "-1", "-2", "-3", "R", "6" ]
The frame define the position in the nucleic sequence to start from:
-frame 1
|-frame 2
||-frame 3
|||
CCTTTATCTAATCTTTGGAGCATGAGCTGGCATAGTTGGAACCGCCCTCAGCCTCCTCATCCGTGCAGAA
CCCAGTCCTGTACCAACACCTCTTCTGATTCTTCGGCCATCCAGAAGTCTATATCCTCATTTTAC
|||
||-frame -1
|-frame -2
-frame -3
frame "F" = "1", "2", "3"
frame "R" = "-1", "-2", "-3"
frame "6" = "1", "2", "3", "-1", "-2", "-3"
In the output file, we add the frame used to the sequenceId: sequenceId = sequenceId_frame
For example if the program is used with frame=6, the expected output is
>Seq1_1 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
PLSNLWSMSWHSWNRPQPPHPCRTQSCTNTSSDSSAIQKSISSFY
>Seq1_2 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
LYLIFGA*AGIVGTALSLLIRAEPSPVPTPLLILRPSRSLYPHFT
>Seq1_3 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
FI*SLEHELA*LEPPSASSSVQNPVLYQHLF*FFGHPEVYILILX
>Seq1_4 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
VK*GYRLLDGRRIRRGVGTGLGSARMRRLRAVPTMPAHAPKIR*R
>Seq1_5 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
KMRI*TSGWPKNQKRCWYRTGFCTDEEAEGGSNYASSCSKD*IKX
>Seq1_6 [organism=Carpodacus mexicanus] [clone=6b] actin (act) mRNA, partial cds
*NEDIDFWMAEESEEVLVQDWVLHG*GG*GRFQLCQLMLQRLDKG
>Seq2_1 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
GRYRPKXPNPSRTXPTRSPSGRRQST*X
>Seq2_2 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
VGTALXLLIRAELXQPGALLGDDNQHKX
>Seq2_3 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
*VPP*XS*SEQNXANPEPFWETTINIK
>Seq2_4 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
LC*LSSPRRAPGWXSSARIRXLRAVPT
>Seq2_5 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
FMLIVVSQKGSGLA*FCSD*EX*GGTYX
>Seq2_6 [organism=uncultured bacillus sp.] [isolate=A2] corticotropin (CT) gene
FYVDCRLPEGLRVGXVLLGLGXLGRYLP
Improvements
- Is the code easy to read / understand ?
- Is the code idiomatic ?
- Any other improvements (performance, doc...)
( full project with tests + flags handling is avaible on github: gotranseq)
code :
package transeq
import (
"bufio"
"bytes"
"context"
"encoding/binary"
"fmt"
"io"
"runtime"
"sync"
)
var (
letterCode = map[byte]uint8{
'A': aCode,
'C': cCode,
'T': tCode,
'G': gCode,
'N': nCode,
'U': uCode,
}
standard = map[string]byte{
"TTT": 'F',
"TCT": 'S',
"TAT": 'Y',
"TGT": 'C',
"TTC": 'F',
"TCC": 'S',
"TAC": 'Y',
"TGC": 'C',
"TTA": 'L',
"TCA": 'S',
"TAA": '*',
"TGA": '*',
"TTG": 'L',
"TCG": 'S',
"TAG": '*',
"TGG": 'W',
"CTT": 'L',
"CCT": 'P',
"CAT": 'H',
"CGT": 'R',
"CTC": 'L',
"CCC": 'P',
"CAC": 'H',
"CGC": 'R',
"CTA": 'L',
"CCA": 'P',
"CAA": 'Q',
"CGA": 'R',
"CTG": 'L',
"CCG": 'P',
"CAG": 'Q',
"CGG": 'R',
"ATT": 'I',
"ACT": 'T',
"AAT": 'N',
"AGT": 'S',
"ATC": 'I',
"ACC": 'T',
"AAC": 'N',
"AGC": 'S',
"ATA": 'I',
"ACA": 'T',
"AAA": 'K',
"AGA": 'R',
"ATG": 'M',
"ACG": 'T',
"AAG": 'K',
"AGG": 'R',
"GTT": 'V',
"GCT": 'A',
"GAT": 'D',
"GGT": 'G',
"GTC": 'V',
"GCC": 'A',
"GAC": 'D',
"GGC": 'G',
"GTA": 'V',
"GCA": 'A',
"GAA": 'E',
"GGA": 'G',
"GTG": 'V',
"GCG": 'A',
"GAG": 'E',
"GGG": 'G',
}
)
const (
nCode = uint8(0)
aCode = uint8(1)
cCode = uint8(2)
tCode = uint8(3)
uCode = uint8(3)
gCode = uint8(4)
stopByte = '*'
unknown = 'X'
// Length of the array to store code/bytes
// uses gCode because it's the biggest uint8 of all codes
arrayCodeSize = (uint32(gCode) | uint32(gCode)<<8 | uint32(gCode)<<16) + 1
)
func createCodeArray(clean bool) byte {
resultMap := map[uint32]byte{}
twoLetterMap := map[string]byte{}
tmpCode := make(uint8, 4)
for codon, aaCode := range standard {
// generate 3 letter code
for i := 0; i < 3; i++ {
tmpCode[i] = letterCode[codon[i]]
}
// each codon is represented by an unique uint32:
// each possible nucleotide is represented by an uint8 (255 possibility)
// the three first bytes are the the code for each nucleotide
// last byte is unused ( eq to uint8(0) )
// example:
// codon 'ACG' ==> uint32(aCode) | uint32(cCode)<<8 | uint32(gCode)<<16
uint32Code := uint32(tmpCode[0]) | uint32(tmpCode[1])<<8 | uint32(tmpCode[2])<<16
resultMap[uint32Code] = aaCode
// generate 2 letter code
codes, ok := twoLetterMap[codon[0:2]]
if !ok {
twoLetterMap[codon[0:2]] = byte{aaCode}
} else {
twoLetterMap[codon[0:2]] = append(codes, aaCode)
}
}
for twoLetterCodon, codes := range twoLetterMap {
uniqueAA := true
for i := 0; i < len(codes); i++ {
if codes[i] != codes[0] {
uniqueAA = false
}
}
if uniqueAA {
first := letterCode[twoLetterCodon[0]]
second := letterCode[twoLetterCodon[1]]
uint32Code := uint32(first) | uint32(second)<<8
resultMap[uint32Code] = codes[0]
}
}
// if clean is specified, we want to replace all '*' by 'X' in the output
// sequence, so replace all occurrences of '*' directly in the ref map
if clean {
for k, v := range resultMap {
if v == stopByte {
resultMap[k] = unknown
}
}
}
r := make(byte, arrayCodeSize)
for k, v := range resultMap {
r[k] = v
}
return r
}
func computeFrames(frameName string) (frames int, reverse bool, err error) {
frames = make(int, 6)
reverse = false
switch frameName {
case "1":
frames[0] = 1
case "2":
frames[1] = 1
case "3":
frames[2] = 1
case "F":
for i := 0; i < 3; i++ {
frames[i] = 1
}
case "-1":
frames[3] = 1
reverse = true
case "-2":
frames[4] = 1
reverse = true
case "-3":
frames[5] = 1
reverse = true
case "R":
for i := 3; i < 6; i++ {
frames[i] = 1
}
reverse = true
case "6":
for i := range frames {
frames[i] = 1
}
reverse = true
default:
err = fmt.Errorf("wrong value for -f | --frame parameter: %s", frameName)
}
return frames, reverse, err
}
type writer struct {
buf *bytes.Buffer
currentLineLen int
bytesToTrim int
}
func (w *writer) addByte(b byte) {
w.buf.WriteByte(b)
w.currentLineLen++
if b == stopByte || b == unknown {
w.bytesToTrim++
} else {
w.bytesToTrim = 0
}
}
func (w *writer) addUnknown() {
w.buf.WriteByte(unknown)
w.currentLineLen++
w.bytesToTrim++
}
func (w *writer) newLine() {
w.buf.WriteByte('n')
w.currentLineLen = 0
w.bytesToTrim++
}
const (
// size of the buffer for writing to file
maxBufferSize = 1024 * 1024 * 30
// max line size for sequence
maxLineSize = 60
// suffixes ta add to sequence id for each frame
suffixes = "123456"
)
// Translate read a fata file, translate each sequence to the corresponding prot sequence in the specified frame
func Translate(inputSequence io.Reader, out io.Writer, frame string, clean, trim, alternative bool) error {
arrayCode := createCodeArray(clean)
framesToGenerate, reverse, err := computeFrames(frame)
if err != nil {
return err
}
fnaSequences := make(chan encodedSequence, 10)
errs := make(chan error, 1)
var wg sync.WaitGroup
ctx, cancel := context.WithCancel(context.Background())
defer cancel()
for nWorker := 0; nWorker < runtime.NumCPU(); nWorker++ {
wg.Add(1)
go func() {
defer wg.Done()
startPosition := make(int, 3)
w := &writer{
buf: bytes.NewBuffer(nil),
bytesToTrim: 0,
currentLineLen: 0,
}
for sequence := range fnaSequences {
select {
case <-ctx.Done():
return
default:
}
frameIndex := 0
startPosition[0], startPosition[1], startPosition[2] = 0, 1, 2
idSize := int(binary.LittleEndian.Uint32(sequence[0:4]))
nuclSeqLength := len(sequence) - idSize
Translate:
for _, startPos := range startPosition {
if framesToGenerate[frameIndex] == 0 {
frameIndex++
continue
}
// sequence id should look like
// >sequenceID_<frame> comment
idEnd := bytes.IndexByte(sequence[4:idSize], ' ')
if idEnd != -1 {
w.buf.Write(sequence[4 : 4+idEnd])
w.buf.WriteByte('_')
w.buf.WriteByte(suffixes[frameIndex])
w.buf.Write(sequence[4+idEnd : idSize])
} else {
w.buf.Write(sequence[4:idSize])
w.buf.WriteByte('_')
w.buf.WriteByte(suffixes[frameIndex])
}
w.newLine()
// if in trim mode, nb of bytes to trim (nb of successive 'X', '*' and 'n'
// from right end of the sequence)
w.bytesToTrim = 0
w.currentLineLen = 0
// read the sequence 3 letters at a time, starting at a specific position
// corresponding to the frame
for pos := startPos + 2 + idSize; pos < len(sequence); pos += 3 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
// create an uint32 from the codon, to retrieve the corresponding
// AA from the map
codonCode := uint32(sequence[pos-2]) | uint32(sequence[pos-1])<<8 | uint32(sequence[pos])<<16
b := arrayCode[codonCode]
if b != byte(0) {
w.addByte(b)
} else {
w.addUnknown()
}
}
// the last codon is only 2 nucleotid long, try to guess
// the corresponding AA
if (nuclSeqLength-startPos)%3 == 2 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
codonCode := uint32(sequence[len(sequence)-2]) | uint32(sequence[len(sequence)-1])<<8
b := arrayCode[codonCode]
if b != byte(0) {
w.addByte(b)
} else {
w.addUnknown()
}
}
// the last codon is only 1 nucleotid long, no way to guess
// the corresponding AA
if (nuclSeqLength-startPos)%3 == 1 {
if w.currentLineLen == maxLineSize {
w.newLine()
}
w.addUnknown()
}
if trim && w.bytesToTrim > 0 {
// remove the last bytesToTrim bytes of the buffer
// as they are 'X', '*' or 'n'
w.buf.Truncate(w.buf.Len() - w.bytesToTrim)
w.currentLineLen -= w.bytesToTrim
}
if w.currentLineLen != 0 {
w.newLine()
}
frameIndex++
}
if reverse && frameIndex < 6 {
// get the complementary sequence.
// Basically, switch
// A <-> T
// C <-> G
// N is not modified
for i, n := range sequence[idSize:] {
switch n {
case aCode:
sequence[i+idSize] = tCode
case tCode:
// handle both tCode and uCode
sequence[i+idSize] = aCode
case cCode:
sequence[i+idSize] = gCode
case gCode:
sequence[i+idSize] = cCode
default:
//case N -> leave it
}
}
// reverse the sequence
for i, j := idSize, len(sequence)-1; i < j; i, j = i+1, j-1 {
sequence[i], sequence[j] = sequence[j], sequence[i]
}
if !alternative {
// Staden convention: Frame -1 is the reverse-complement of the sequence
// having the same codon phase as frame 1. Frame -2 is the same phase as
// frame 2. Frame -3 is the same phase as frame 3
//
// use the matrix to keep track of the forward frame as it depends on the
// length of the sequence
switch nuclSeqLength % 3 {
case 0:
startPosition[0], startPosition[1], startPosition[2] = 0, 2, 1
case 1:
startPosition[0], startPosition[1], startPosition[2] = 1, 0, 2
case 2:
startPosition[0], startPosition[1], startPosition[2] = 2, 1, 0
}
}
// run the same loop, but with the reverse-complemented sequence
goto Translate
}
if w.buf.Len() > maxBufferSize {
_, err := out.Write(w.buf.Bytes())
if err != nil {
select {
case errs <- fmt.Errorf("fail to write to output file: %v", err):
default:
}
cancel()
return
}
w.buf.Reset()
}
pool.Put(sequence)
}
if w.buf.Len() > 0 {
_, err := out.Write(w.buf.Bytes())
if err != nil {
select {
case errs <- fmt.Errorf("fail to write to output file: %v", err):
default:
}
cancel()
return
}
}
}()
}
readSequenceFromFasta(ctx, inputSequence, fnaSequences)
wg.Wait()
select {
case err, ok := <-errs:
if ok {
return err
}
default:
}
return nil
}
func readSequenceFromFasta(ctx context.Context, inputSequence io.Reader, fnaSequences chan encodedSequence) {
feeder := &fastaChannelFeeder{
idBuffer: bytes.NewBuffer(nil),
commentBuffer: bytes.NewBuffer(nil),
sequenceBuffer: bytes.NewBuffer(nil),
fastaChan: fnaSequences,
}
// fasta format is:
//
// >sequenceID some comments on sequence
// ACAGGCAGAGACACGACAGACGACGACACAGGAGCAGACAGCAGCAGACGACCACATATT
// TTTGCGGTCACATGACGACTTCGGCAGCGA
//
// see https://blast.ncbi.nlm.nih.gov/Blast.cgi?CMD=Web&PAGE_TYPE=BlastDocs&DOC_TYPE=BlastHelp
// section 1 for details
scanner := bufio.NewScanner(inputSequence)
Loop:
for scanner.Scan() {
line := scanner.Bytes()
if len(line) == 0 {
continue
}
if line[0] == '>' {
if feeder.idBuffer.Len() > 0 {
select {
case <-ctx.Done():
break Loop
default:
}
feeder.sendFasta()
}
feeder.reset()
// parse the ID of the sequence. ID is formatted like this:
// >sequenceID comments
seqID := bytes.SplitN(line, byte{' '}, 2)
feeder.idBuffer.Write(seqID[0])
if len(seqID) > 1 {
feeder.commentBuffer.WriteByte(' ')
feeder.commentBuffer.Write(seqID[1])
}
} else {
// if the line doesn't start with '>', then it's a part of the
// nucleotide sequence, so write it to the buffer
feeder.sequenceBuffer.Write(line)
}
}
// don't forget to push last sequence
select {
case <-ctx.Done():
default:
feeder.sendFasta()
}
close(fnaSequences)
}
// a type to hold an encoded fasta sequence
//
// s[0:4] stores the size of the sequence id + the size of the comment as an uint32 (little endian)
// s[4:idSize] stores the sequence id, and the comment id there is one
// s[idSize:] stores the nucl sequence
type encodedSequence byte
var pool = sync.Pool{
New: func() interface{} {
return make(encodedSequence, 512)
},
}
func getSizedSlice(idSize, requiredSize int) encodedSequence {
s := pool.Get().(encodedSequence)
binary.LittleEndian.PutUint32(s[0:4], uint32(idSize))
for len(s) < requiredSize {
s = append(s, byte(0))
}
return s[0:requiredSize]
}
func (f *fastaChannelFeeder) sendFasta() {
idSize := 4 + f.idBuffer.Len() + f.commentBuffer.Len()
requiredSize := idSize + f.sequenceBuffer.Len()
s := getSizedSlice(idSize, requiredSize)
if f.commentBuffer.Len() > 0 {
copy(s[idSize-f.commentBuffer.Len():idSize], f.commentBuffer.Bytes())
}
copy(s[4:4+f.idBuffer.Len()], f.idBuffer.Bytes())
// convert the sequence of bytes to an array of uint8 codes,
// so a codon (3 nucleotides | 3 bytes ) can be represented
// as an uint32
for i, b := range f.sequenceBuffer.Bytes() {
switch b {
case 'A':
s[i+idSize] = aCode
case 'C':
s[i+idSize] = cCode
case 'G':
s[i+idSize] = gCode
case 'T', 'U':
s[i+idSize] = tCode
case 'N':
s[i+idSize] = nCode
default:
fmt.Printf("WARNING: invalid char in sequence %s: %s, ignoring", s[4:4+idSize], string(b))
}
}
f.fastaChan <- s
}
type fastaChannelFeeder struct {
idBuffer, commentBuffer, sequenceBuffer *bytes.Buffer
fastaChan chan encodedSequence
}
func (f *fastaChannelFeeder) reset() {
f.idBuffer.Reset()
f.sequenceBuffer.Reset()
f.commentBuffer.Reset()
}
performance go bioinformatics multiprocessing
performance go bioinformatics multiprocessing
edited 5 mins ago
200_success
128k15149412
asked 1 hour ago
felix
70339
edited 5 mins ago
200_success
128k15149412
asked 1 hour ago
felix
70339
edited 5 mins ago
200_success
128k15149412
edited 5 mins ago
200_success
128k15149412
edited 5 mins ago
200_success
128k15149412
128k15149412
asked 1 hour ago
felix
70339
asked 1 hour ago
felix
70339
asked 1 hour ago
felix
70339
70339
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