Mercurial > repos > peterjc > tmhmm_and_signalp
annotate tools/protein_analysis/tmhmm2.py @ 18:eb6ac44d4b8e draft
Suite v0.2.8, record Promoter 2 verion + misc internal updates
| author | peterjc | 
|---|---|
| date | Tue, 01 Sep 2015 09:56:36 -0400 | 
| parents | 99b82a2b1272 | 
| children | f3ecd80850e2 | 
| rev | line source | 
|---|---|
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changeset | 1 #!/usr/bin/env python | 
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changeset | 2 """Wrapper for TMHMM v2.0 for use in Galaxy. | 
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changeset | 3 | 
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changeset | 4 This script takes exactly three command line arguments - number of threads, | 
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changeset | 5 an input protein FASTA filename, and an output tabular filename. It then | 
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changeset | 6 calls the standalone TMHMM v2.0 program (not the webservice) requesting | 
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changeset | 7 the short output (one line per protein). | 
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changeset | 8 | 
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changeset | 9 The first major feature is cleaning up the tabular output. The short form raw | 
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changeset | 10 output from TMHMM v2.0 looks like this (six columns tab separated): | 
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changeset | 11 | 
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changeset | 12 gi|2781234|pdb|1JLY|B len=304 ExpAA=0.01 First60=0.00 PredHel=0 Topology=o | 
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changeset | 13 gi|4959044|gb|AAD34209.1|AF069992_1 len=600 ExpAA=0.00 First60=0.00 PredHel=0 Topology=o | 
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changeset | 14 gi|671626|emb|CAA85685.1| len=473 ExpAA=0.19 First60=0.00 PredHel=0 Topology=o | 
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changeset | 15 gi|3298468|dbj|BAA31520.1| len=107 ExpAA=59.37 First60=31.17 PredHel=3 Topology=o23-45i52-74o89-106i | 
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changeset | 16 | 
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changeset | 17 If there are any additional 'comment' lines starting with the hash (#) | 
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changeset | 18 character these are ignored by this script. | 
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changeset | 19 | 
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changeset | 20 In order to make it easier to use in Galaxy, this wrapper script simplifies | 
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changeset | 21 this to remove the redundant tags, and instead adds a comment line at the | 
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changeset | 22 top with the column names: | 
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changeset | 23 | 
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changeset | 24 #ID len ExpAA First60 PredHel Topology | 
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changeset | 25 gi|2781234|pdb|1JLY|B 304 0.01 60 0.00 0 o | 
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changeset | 26 gi|4959044|gb|AAD34209.1|AF069992_1 600 0.00 0 0.00 0 o | 
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changeset | 27 gi|671626|emb|CAA85685.1| 473 0.19 0.00 0 o | 
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changeset | 28 gi|3298468|dbj|BAA31520.1| 107 59.37 31.17 3 o23-45i52-74o89-106i | 
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changeset | 29 | 
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changeset | 30 The second major potential feature is taking advantage of multiple cores | 
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changeset | 31 (since TMHMM v2.0 itself is single threaded) by dividing the input FASTA file | 
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changeset | 32 into chunks and running multiple copies of TMHMM in parallel. I would normally | 
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changeset | 33 use Python's multiprocessing library in this situation but it requires at | 
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changeset | 34 least Python 2.6 and at the time of writing Galaxy still supports Python 2.4. | 
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changeset | 35 | 
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changeset | 36 Note that this is somewhat redundant with job-splitting available in Galaxy | 
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changeset | 37 itself (see the SignalP XML file for settings). | 
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changeset | 38 | 
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changeset | 39 Also tmhmm2 can fail without returning an error code, for example if run on a | 
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changeset | 40 64 bit machine with only the 32 bit binaries installed. This script will spot | 
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changeset | 41 when there is no output from tmhmm2, and raise an error. | 
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changeset | 42 """ | 
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changeset | 43 import sys | 
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changeset | 44 import os | 
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changeset | 45 import tempfile | 
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changeset | 46 from seq_analysis_utils import sys_exit, split_fasta, run_jobs, thread_count | 
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changeset | 47 | 
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changeset | 48 FASTA_CHUNK = 500 | 
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changeset | 49 | 
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changeset | 50 if len(sys.argv) != 4: | 
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changeset | 51 sys_exit("Require three arguments, number of threads (int), input protein FASTA file & output tabular file") | 
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| 53 num_threads = thread_count(sys.argv[1], default=4) | |
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changeset | 54 fasta_file = sys.argv[2] | 
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changeset | 55 tabular_file = sys.argv[3] | 
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changeset | 56 | 
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changeset | 57 tmp_dir = tempfile.mkdtemp() | 
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changeset | 58 | 
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changeset | 59 def clean_tabular(raw_handle, out_handle): | 
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changeset | 60 """Clean up tabular TMHMM output, returns output line count.""" | 
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changeset | 61 count = 0 | 
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changeset | 62 for line in raw_handle: | 
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changeset | 63 if not line.strip() or line.startswith("#"): | 
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changeset | 64 #Ignore any blank lines or comment lines | 
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changeset | 65 continue | 
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changeset | 66 parts = line.rstrip("\r\n").split("\t") | 
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changeset | 67 try: | 
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changeset | 68 identifier, length, expAA, first60, predhel, topology = parts | 
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changeset | 69 except: | 
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changeset | 70 assert len(parts)!=6 | 
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changeset | 71 sys_exit("Bad line: %r" % line) | 
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changeset | 72 assert length.startswith("len="), line | 
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changeset | 73 length = length[4:] | 
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changeset | 74 assert expAA.startswith("ExpAA="), line | 
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changeset | 75 expAA = expAA[6:] | 
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changeset | 76 assert first60.startswith("First60="), line | 
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changeset | 77 first60 = first60[8:] | 
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changeset | 78 assert predhel.startswith("PredHel="), line | 
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changeset | 79 predhel = predhel[8:] | 
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changeset | 80 assert topology.startswith("Topology="), line | 
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changeset | 81 topology = topology[9:] | 
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changeset | 82 out_handle.write("%s\t%s\t%s\t%s\t%s\t%s\n" \ | 
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changeset | 83 % (identifier, length, expAA, first60, predhel, topology)) | 
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changeset | 84 count += 1 | 
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changeset | 85 return count | 
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changeset | 86 | 
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changeset | 87 #Note that if the input FASTA file contains no sequences, | 
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changeset | 88 #split_fasta returns an empty list (i.e. zero temp files). | 
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changeset | 89 fasta_files = split_fasta(fasta_file, os.path.join(tmp_dir, "tmhmm"), FASTA_CHUNK) | 
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changeset | 90 temp_files = [f+".out" for f in fasta_files] | 
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changeset | 91 jobs = ["tmhmm -short %s > %s" % (fasta, temp) | 
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changeset | 92 for fasta, temp in zip(fasta_files, temp_files)] | 
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changeset | 93 | 
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changeset | 94 def clean_up(file_list): | 
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changeset | 95 for f in file_list: | 
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changeset | 96 if os.path.isfile(f): | 
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changeset | 97 os.remove(f) | 
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changeset | 98 try: | 
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changeset | 99 os.rmdir(tmp_dir) | 
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changeset | 100 except: | 
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changeset | 101 pass | 
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changeset | 102 | 
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changeset | 103 if len(jobs) > 1 and num_threads > 1: | 
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changeset | 104 #A small "info" message for Galaxy to show the user. | 
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changeset | 105 print "Using %i threads for %i tasks" % (min(num_threads, len(jobs)), len(jobs)) | 
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changeset | 106 results = run_jobs(jobs, num_threads) | 
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changeset | 107 for fasta, temp, cmd in zip(fasta_files, temp_files, jobs): | 
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changeset | 108 error_level = results[cmd] | 
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changeset | 109 if error_level: | 
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changeset | 110 try: | 
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changeset | 111 output = open(temp).readline() | 
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changeset | 112 except IOError: | 
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changeset | 113 output = "" | 
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changeset | 114 clean_up(fasta_files + temp_files) | 
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changeset | 115 sys_exit("One or more tasks failed, e.g. %i from %r gave:\n%s" % (error_level, cmd, output), | 
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changeset | 116 error_level) | 
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changeset | 117 del results | 
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changeset | 118 del jobs | 
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changeset | 119 | 
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changeset | 120 out_handle = open(tabular_file, "w") | 
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changeset | 121 out_handle.write("#ID\tlen\tExpAA\tFirst60\tPredHel\tTopology\n") | 
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changeset | 122 for temp in temp_files: | 
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changeset | 123 data_handle = open(temp) | 
| 1 
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Migrated tool version 0.0.3 from old tool shed archive to new tool shed repository
 peterjc parents: 
0diff
changeset | 124 count = clean_tabular(data_handle, out_handle) | 
| 0 
bca9bc7fdaef
Migrated tool version 0.0.1 from old tool shed archive to new tool shed repository
 peterjc parents: diff
changeset | 125 data_handle.close() | 
| 1 
3ff1dcbb9440
Migrated tool version 0.0.3 from old tool shed archive to new tool shed repository
 peterjc parents: 
0diff
changeset | 126 if not count: | 
| 7 
9b45a8743100
Uploaded v0.1.0, which adds a wrapper for Promoter 2.0 (DNA tool) and enables use of Galaxy's <parallelism> tag for SignalP, TMHMM X Promoter wrappers.
 peterjc parents: 
2diff
changeset | 127 clean_up(fasta_files + temp_files) | 
| 18 
eb6ac44d4b8e
Suite v0.2.8, record Promoter 2 verion + misc internal updates
 peterjc parents: 
11diff
changeset | 128 sys_exit("No output from tmhmm2") | 
| 0 
bca9bc7fdaef
Migrated tool version 0.0.1 from old tool shed archive to new tool shed repository
 peterjc parents: diff
changeset | 129 out_handle.close() | 
| 
bca9bc7fdaef
Migrated tool version 0.0.1 from old tool shed archive to new tool shed repository
 peterjc parents: diff
changeset | 130 | 
| 7 
9b45a8743100
Uploaded v0.1.0, which adds a wrapper for Promoter 2.0 (DNA tool) and enables use of Galaxy's <parallelism> tag for SignalP, TMHMM X Promoter wrappers.
 peterjc parents: 
2diff
changeset | 131 clean_up(fasta_files + temp_files) | 
