bio-octopus 0.0.1 → 0.1.0
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- data/Rakefile +3 -0
- data/VERSION +1 -1
- data/bin/biooctopus +24 -3
- data/bin/biooctopus.rb +57 -0
- data/bio-octopus.gemspec +7 -4
- data/lib/bio/appl/octopus.rb +19 -62
- data/test/data/dummyLegacyDb +49 -0
- data/test/data/dummyLegacyDb.phr +0 -0
- data/test/data/dummyLegacyDb.pin +0 -0
- data/test/data/dummyLegacyDb.psq +0 -0
- data/test/test_bio-octopus.rb +20 -54
- metadata +11 -5
data/Rakefile
CHANGED
@@ -23,6 +23,9 @@ Jeweler::Tasks.new do |gem|
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23
23
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# and development dependencies are only needed for development (ie running rake tasks, tests, etc)
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24
24
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# gem.add_runtime_dependency 'jabber4r', '> 0.1'
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25
25
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# gem.add_development_dependency 'rspec', '> 1.2.3'
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26
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+
|
27
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+
#included so the IDE recognizes the file type of bin/biooctopus, but these are hard-linked so just use one of these two.
|
28
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+
gem.files.exclude 'bin/biooctopus.rb'
|
26
29
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end
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27
30
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Jeweler::RubygemsDotOrgTasks.new
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28
31
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|
data/VERSION
CHANGED
@@ -1 +1 @@
|
|
1
|
-
0.0
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1
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+
0.1.0
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data/bin/biooctopus
CHANGED
@@ -5,14 +5,35 @@
|
|
5
5
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# Author:: Ben J Woodcroft
|
6
6
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# Copyright:: 2011
|
7
7
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# License:: The Ruby License
|
8
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+
require 'rubygems'
|
9
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+
require 'optparse'
|
10
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+
require 'bio'
|
11
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+
require 'bio-octopus'
|
8
12
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|
9
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-
|
13
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+
USAGE = "This scripts reads a fasta file in, and uses the BLOCTOPUS and SPOCTOPUS scripts, returning a structured result for each transmembrane domain. Requires the scripts and a legacy BLAST formated database to be installed before use. They are available from http://octopus.cbr.su.se/"
|
10
14
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|
11
15
|
if $0 == __FILE__
|
16
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+
o = OptionParser.new do |opts|
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17
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+
indent = ' '
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18
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+
opts.banner = [
|
19
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+
"Usage: biooctopus <FASTA_FILE> <BLASTDB>\n",
|
20
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+
USAGE
|
21
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+
].flatten
|
22
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+
end
|
23
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+
o.parse!
|
24
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+
|
25
|
+
unless ARGV.length == 2
|
26
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+
puts o.help
|
27
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+
exit
|
28
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+
end
|
29
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+
|
30
|
+
fasta_path = ARGV[0]
|
31
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+
blastdb_path = ARGV[1]
|
32
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+
|
12
33
|
runner = Bio::Spoctopus::Wrapper.new
|
13
34
|
|
14
|
-
Bio::FlatFile.auto(
|
15
|
-
result = runner.calculate(seq.seq)
|
35
|
+
Bio::FlatFile.auto(File.open(fasta_path)).each do |seq|
|
36
|
+
result = runner.calculate(seq.seq, blastdb_path)
|
16
37
|
name = seq.definition
|
17
38
|
|
18
39
|
if result.has_domain?
|
data/bin/biooctopus.rb
ADDED
@@ -0,0 +1,57 @@
|
|
1
|
+
#!/usr/bin/env ruby
|
2
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+
#
|
3
|
+
# BioRuby bio-octopus Plugin
|
4
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+
# Version 0.0.1
|
5
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+
# Author:: Ben J Woodcroft
|
6
|
+
# Copyright:: 2011
|
7
|
+
# License:: The Ruby License
|
8
|
+
require 'rubygems'
|
9
|
+
require 'optparse'
|
10
|
+
require 'bio'
|
11
|
+
require 'bio-octopus'
|
12
|
+
|
13
|
+
USAGE = "This scripts reads a fasta file in, and uses the BLOCTOPUS and SPOCTOPUS scripts, returning a structured result for each transmembrane domain. Requires the scripts and a legacy BLAST formated database to be installed before use. They are available from http://octopus.cbr.su.se/"
|
14
|
+
|
15
|
+
if $0 == __FILE__
|
16
|
+
o = OptionParser.new do |opts|
|
17
|
+
indent = ' '
|
18
|
+
opts.banner = [
|
19
|
+
"Usage: biooctopus <FASTA_FILE> <BLASTDB>\n",
|
20
|
+
USAGE
|
21
|
+
].flatten
|
22
|
+
end
|
23
|
+
o.parse!
|
24
|
+
|
25
|
+
unless ARGV.length == 2
|
26
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+
puts o.help
|
27
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+
exit
|
28
|
+
end
|
29
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+
|
30
|
+
fasta_path = ARGV[0]
|
31
|
+
blastdb_path = ARGV[1]
|
32
|
+
|
33
|
+
runner = Bio::Spoctopus::Wrapper.new
|
34
|
+
|
35
|
+
Bio::FlatFile.auto(File.open(fasta_path)).each do |seq|
|
36
|
+
result = runner.calculate(seq.seq, blastdb_path)
|
37
|
+
name = seq.definition
|
38
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+
|
39
|
+
if result.has_domain?
|
40
|
+
# At least one TMD found. Output each on a separate line
|
41
|
+
result.transmembrane_domains.each do |tmd|
|
42
|
+
puts [
|
43
|
+
name,
|
44
|
+
result.transmembrane_type,
|
45
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+
tmd.start,
|
46
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+
tmd.stop,
|
47
|
+
tmd.orientation
|
48
|
+
].join("\t")
|
49
|
+
end
|
50
|
+
else
|
51
|
+
puts [
|
52
|
+
name,
|
53
|
+
'No Transmembrane Domain Found'
|
54
|
+
].join("\t")
|
55
|
+
end
|
56
|
+
end
|
57
|
+
end
|
data/bio-octopus.gemspec
CHANGED
@@ -5,15 +5,14 @@
|
|
5
5
|
|
6
6
|
Gem::Specification.new do |s|
|
7
7
|
s.name = %q{bio-octopus}
|
8
|
-
s.version = "0.0
|
8
|
+
s.version = "0.1.0"
|
9
9
|
|
10
10
|
s.required_rubygems_version = Gem::Requirement.new(">= 0") if s.respond_to? :required_rubygems_version=
|
11
11
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s.authors = ["Ben J Woodcroft"]
|
12
|
-
s.date = %q{2011-04-
|
13
|
-
s.default_executable = %q{biooctopus}
|
12
|
+
s.date = %q{2011-04-17}
|
14
13
|
s.description = %q{Running and parsing of the protein transmembrane domain predictor octopus}
|
15
14
|
s.email = %q{gmail.com after donttrustben}
|
16
|
-
s.executables = ["biooctopus"]
|
15
|
+
s.executables = ["biooctopus.rb", "biooctopus"]
|
17
16
|
s.extra_rdoc_files = [
|
18
17
|
"LICENSE.txt",
|
19
18
|
"README.rdoc"
|
@@ -29,6 +28,10 @@ Gem::Specification.new do |s|
|
|
29
28
|
"bio-octopus.gemspec",
|
30
29
|
"lib/bio-octopus.rb",
|
31
30
|
"lib/bio/appl/octopus.rb",
|
31
|
+
"test/data/dummyLegacyDb",
|
32
|
+
"test/data/dummyLegacyDb.phr",
|
33
|
+
"test/data/dummyLegacyDb.pin",
|
34
|
+
"test/data/dummyLegacyDb.psq",
|
32
35
|
"test/helper.rb",
|
33
36
|
"test/test_bio-octopus.rb"
|
34
37
|
]
|
data/lib/bio/appl/octopus.rb
CHANGED
@@ -1,16 +1,24 @@
|
|
1
1
|
require 'fastercsv'
|
2
2
|
require 'bio-tm_hmm'
|
3
|
+
require 'rio'
|
3
4
|
|
4
5
|
module Bio
|
5
6
|
class Spoctopus
|
6
7
|
class Wrapper
|
7
8
|
TMP_SEQUENCE_NAME = 'wrapperSeq'
|
9
|
+
BLOCTOPUS_DEFAULT_PATH='BLOCTOPUS.sh'
|
10
|
+
SPOCTOPUS_DEFAULT_PATH='SPOCTOPUS.sh'
|
11
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+
|
12
|
+
# The path to the BLOCTOPUS executable, by default BLOCTOPUS_DEFAULT_PATH
|
13
|
+
attr_accessor :bloctopus_executable
|
14
|
+
|
15
|
+
# The path to the SPOCTOPUS executable, by default SPOCTOPUS_DEFAULT_PATH
|
16
|
+
attr_accessor :spoctopus_executable
|
8
17
|
|
9
18
|
def calculate(sequence, blast_database_path)
|
10
19
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# Remove stop codons, as these mess things up for the predictor
|
11
20
|
sequence.gsub!('*','')
|
12
21
|
|
13
|
-
|
14
22
|
rio(:tempdir) do |d| # Do all the work in a temporary directory
|
15
23
|
FileUtils.cd(d.to_s) do
|
16
24
|
|
@@ -36,9 +44,10 @@ module Bio
|
|
36
44
|
# ben@ben:~/bioinfo/spoctopus$ ./BLOCTOPUS.sh /tmp/spoctopus/names /tmp/spoctopus/fa
|
37
45
|
# /tmp/spoctopus/tmd blastall blastpgp`
|
38
46
|
# /blastdb/UniProt15/uniprot_sprot.fasta makemat -P
|
47
|
+
#
|
39
48
|
Tempfile.open('octopuserr') do |err|
|
40
49
|
result = system [
|
41
|
-
|
50
|
+
@bloctopus_executable.nil? ? BLOCTOPUS_DEFAULT_PATH : @bloctopus_executable,
|
42
51
|
"#{Dir.pwd}/names",
|
43
52
|
"#{Dir.pwd}/fasta",
|
44
53
|
"#{Dir.pwd}/tmd",
|
@@ -47,12 +56,12 @@ module Bio
|
|
47
56
|
"'#{blast_database_path}'",
|
48
57
|
'makemat',
|
49
58
|
'-P',
|
50
|
-
'>/dev/null' # SPOCTOPUS doesn't understand the concept of STDERR
|
51
|
-
|
59
|
+
'>/dev/null', # SPOCTOPUS doesn't understand the concept of STDERR
|
60
|
+
"2>#{err.path}"
|
52
61
|
].join(' ')
|
53
62
|
|
54
63
|
if !result
|
55
|
-
raise Exception, "Running BLOCTOPUS program failed. $? was #{$?.inspect}. STDERR
|
64
|
+
raise Exception, "Running BLOCTOPUS program failed. $? was #{$?.inspect}. Has it been installed properly? STDERR: #{File.open(err.path).read}"
|
56
65
|
end
|
57
66
|
end
|
58
67
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|
@@ -64,17 +73,17 @@ module Bio
|
|
64
73
|
# /tmp/spoctopus/tmd/
|
65
74
|
Tempfile.open('octopuserr') do |err|
|
66
75
|
result = system [
|
67
|
-
|
76
|
+
@spoctopus_executable.nil? ? SPOCTOPUS_DEFAULT_PATH : @soctopus_executable,
|
68
77
|
"#{Dir.pwd}/names",
|
69
78
|
"#{Dir.pwd}/tmd/PSSM_PRF_FILES/",
|
70
79
|
"#{Dir.pwd}/tmd/RAW_PRF_FILES/",
|
71
80
|
"#{Dir.pwd}/tmd/",
|
72
|
-
'>/dev/null' # SPOCTOPUS doesn't understand the concept of STDERR
|
73
|
-
|
81
|
+
'>/dev/null', # SPOCTOPUS doesn't understand the concept of STDERR
|
82
|
+
"2>#{err.path}"
|
74
83
|
].join(' ')
|
75
84
|
|
76
85
|
if !result
|
77
|
-
raise Exception, "Running SPOCTOPUS program failed. $? was #{$?.inspect}. STDERR
|
86
|
+
raise Exception, "Running SPOCTOPUS program failed. $? was #{$?.inspect}. Has it been installed properly? STDERR: #{File.open(err.path).read}"
|
78
87
|
end
|
79
88
|
end
|
80
89
|
|
@@ -109,7 +118,7 @@ module Bio
|
|
109
118
|
|
110
119
|
# Error checking
|
111
120
|
unless lines[0].match(/^\>/) and lines.length > 1
|
112
|
-
raise Exception, "Unexpected
|
121
|
+
raise Exception, "Unexpected OCTOPUS output file: #{spoctopus_output.inspect}. STDERR: #{File.open(err.path).read}"
|
113
122
|
end
|
114
123
|
|
115
124
|
seq = lines[1..(lines.length-1)].join('')
|
@@ -173,57 +182,5 @@ module Bio
|
|
173
182
|
return tmd
|
174
183
|
end
|
175
184
|
end
|
176
|
-
|
177
|
-
# Read the output from this file when it is run as a script and return
|
178
|
-
# useful programmatic objects - TransmembraneProteins
|
179
|
-
#
|
180
|
-
#pfa|PFD0635c I 1833 1853 outside_in
|
181
|
-
#pfa|PFD0595c I 2 22 outside_in
|
182
|
-
#pfa|PFB0610c No Transmembrane Domain Found
|
183
|
-
#pfa|PFF1525c Unknown 2 22 outside_in
|
184
|
-
#pfa|PFF1525c Unknown 160 180 inside_out
|
185
|
-
#pfa|PFF1525c Unknown 188 208 outside_in
|
186
|
-
class WrapperParser
|
187
|
-
attr_accessor :io
|
188
|
-
|
189
|
-
def initialize(io)
|
190
|
-
@io = io
|
191
|
-
end
|
192
|
-
|
193
|
-
# Return an array of transmembrane proteins
|
194
|
-
def transmembrane_proteins
|
195
|
-
transmembrane_proteins = []
|
196
|
-
current_transmembrane_protein = nil
|
197
|
-
|
198
|
-
FasterCSV.foreach(@io, :col_sep => "\t") do |row|
|
199
|
-
next if row.length == 0
|
200
|
-
current_protein_id = row[0]
|
201
|
-
|
202
|
-
# if the protein ID changes then return the last protein
|
203
|
-
# (if there is one)
|
204
|
-
unless current_transmembrane_protein.nil? or
|
205
|
-
current_transmembrane_protein.name == current_protein_id
|
206
|
-
transmembrane_proteins.push current_transmembrane_protein
|
207
|
-
current_transmembrane_protein = nil
|
208
|
-
end
|
209
|
-
|
210
|
-
# deal with no tmd proteins
|
211
|
-
if row[1] == 'No Transmembrane Domain Found'
|
212
|
-
prot = Bio::Transmembrane::OrientedTransmembraneDomainProtein.new
|
213
|
-
prot.name = current_protein_id
|
214
|
-
transmembrane_proteins.push prot
|
215
|
-
current_transmembrane_protein = nil
|
216
|
-
else
|
217
|
-
current_transmembrane_protein ||= Bio::Transmembrane::OrientedTransmembraneDomainProtein.new
|
218
|
-
current_transmembrane_protein.name = current_protein_id
|
219
|
-
current_transmembrane_protein.transmembrane_domains.push Bio::Transmembrane::OrientedTransmembraneDomain.new(row[2],row[3],row[4])
|
220
|
-
end
|
221
|
-
end
|
222
|
-
# push the last one
|
223
|
-
transmembrane_proteins.push current_transmembrane_protein unless current_transmembrane_protein.nil?
|
224
|
-
|
225
|
-
return transmembrane_proteins
|
226
|
-
end
|
227
|
-
end
|
228
185
|
end
|
229
186
|
end
|
@@ -0,0 +1,49 @@
|
|
1
|
+
>PB000746.03.0 chloroquine resistance transporter, putative
|
2
|
+
FKIIGNEMKNNVYVYLLSILYLCVCVMNKVFAKRTLNKMGNYSFVTSETHNIICIIVFQLLYFIYRKTSSSSVYKNESQK
|
3
|
+
NFGWQFFLISLLDASTVIISMIGLTRTTGNIQSFIMQLIIPVNMYFCFMFLGYRYHLFNYLGAFIILITIAVVETFLSFE
|
4
|
+
TQGENSIIFNLIMISALIPLSFSNMTREVVFKKHKINILRLNAMVVLFQFFTSLLVLPVYNIPFLKEIYMPFSEMSTNIN
|
5
|
+
NGLRCLFYGENTIVENCGVGMVKMCDNCEGAWKTFITFSFFNICDNLLACYIIDKFSTMTYTIVSCIQGPAITIAYYFKF
|
6
|
+
LAGDAVRKPRILDFLTLFGYLFGTIIYRIGNIILEKKQVIKSQNSNDSEAELTSIETSRA
|
7
|
+
>cgd6_4890 transporter protein with conserved Zn ribbon C11C7CxxC
|
8
|
+
MNGSGRELLLGSESENEQIQIITLIKNGMSALNEGVIKPCKENFFLIVCMMSLLISSVFNSVFFKKMTSAMPNHVWFLTQ
|
9
|
+
LTSALYIPLFGLVLLISYFRGELSRDNLEFPMSKFWMMGFFDAFSSILTLLASTHTSGVMQVVLGQMCTPITLVMLSSIC
|
10
|
+
KDRFHKLQYIGATVMVMGIFIVKSTLILGIRKSSGAENSNQLIFNILFVIACIPASASSVYKDLSFREYSSLNENYLQFC
|
11
|
+
VAATQVIIGFILVPINSLSILGPQKIEMNQIPSLLFDGANCLFLKRNSITESCGGELQRPCDNCNSAQFPVLIYFIANVI
|
12
|
+
CNVFSVLVLKHGTASTGFIVSTLRLPVTTLVFFSPRLVGKEATEPKVEDLIGILILILGLILYRLGSVKINQEEEEIQTE
|
13
|
+
EEPERDYYELSSMTYSKETIDKIKSNTSSTTCSFNIEYDSSHFHSS
|
14
|
+
>PCAS_122020 chloroquine resistance transporter, putative
|
15
|
+
MTGMKKGKNKKKNVKNDERYKELDSLISNDSEIGNNSRWGGAKRICKLIGNEMRNNIYVYLLSILYLCVSVMNKVFSKRT
|
16
|
+
LNKIGNYSFVTSEVHNMICTIVFQLLYFIYRKTSNPASRNESQKNFGWQFFLISLLDASTVIITMIGLTRTTGNIQSFIM
|
17
|
+
QLIIPVNMYFCFIFLGYRYHLFNYLGAFIILITIAAVETVLSYETQSDNSIIFNLIMIFALIPLSFSNMTREVVFKKHKI
|
18
|
+
NIIRLNAMVALFQFFTSLLVLPVYNISFLKEIYMPFSEMGTNINDGLRCLFYGQSTIVENCGVGMVKMCDQCEGAWKTFI
|
19
|
+
TYSFFNICDNLLVCYIIDKFSTMTYTIVSCIQGPAITIAYYFKFLAGDVVRQPRLLDFLTLFGYLLGTIIYRIGNIILEK
|
20
|
+
KKMLKAQNTDGSEAELTSIETSTA
|
21
|
+
>TA12005 transporter protein cg10, putative
|
22
|
+
MLKEGSSLDLSASSSSGTLRSDNSFGNSPLDRITSLLILIYKSIRACFKWIYSKSFGIICILFVILDVLTTVFFKRFIDH
|
23
|
+
TKNYVMFTIQVIIFTFWIIVCCIAILCFLFNREYMKRHFNVRPLVFLGFLDMLSTGLSANGSAHTSGLMLVLLGQISVPL
|
24
|
+
TMVSCKLILSKKYHHYQYISSAIILTFAVLKPILNRTDTTDNRFYNNMLYLLASVPDSIASALREKQYTSKFFHVVKYQF
|
25
|
+
FGFLFHFFYNILYTLLFTLPFNSVKGYFDSLYKLCVNGYKCIFFGVNTITENCGPTLIPTCDNCLEAFKIYCLYILFSSA
|
26
|
+
IRVAYVFIMLDGSVTFTLLLGTVKVPLTSIAFSLRFIAGDSTTSFNLLDVVCFLGIVAGLLLYALGSKKIQEETDLLESP
|
27
|
+
LIDDAESEHELLSTGTEKLMRSEICHDLFT
|
28
|
+
>PY05061 putative transporter protein CG10
|
29
|
+
MTVIKKGKNKKKNLKNDDRYKELDSLITNGSEIGDNSGRSCIKRFFKIIGNEMKNNVYVYFLSILYLCVCVMNKVFAKRT
|
30
|
+
LNKMGNYSFVTSETHNIICIVVFQLLYFIYRKTSTSGYKNESQKNFGWQFFLISLLDASTVIISMIGLTRTTGNIQSFIM
|
31
|
+
QLIIPVNMYFCFMFLGYRYHLFNYLGAFIILITIAVVETFLSFETQSENSIIFNLIMISALIPLSFSNMTREVVFKKHKI
|
32
|
+
NILRLNAMVVLFQFFTSLLVLPVYNIPFLKEIYMPFSEMSTNINNGLRCLFYGQNTVVENCGVGMVKMCDNCEGAWKTFI
|
33
|
+
TFSFFNICDNLLACYIIDKFSTMTYTIVSCIQGPAITIAYYFKFLAGDAVRKPRILDFLTLFGYLFGTIIYRIGNIILEK
|
34
|
+
KKMVKSQNSNDSEAELTCIETSTA
|
35
|
+
>PVX_087980 chloroquine resistance transporter, putative
|
36
|
+
MTILKKKKKGSPQITPDERYRELDSHAQNESEIQEDVPISRKIANFLKLAYNEIRENISIYLLIIVYLCVCVMNKLLAKR
|
37
|
+
TLKKIGNYSFVTSETHNCICMVVFFALYFMFGRRVMSAKERHRNFGVQFLLISLLDACSVIIAFIGLTRTTGNIQSFVMQ
|
38
|
+
LSIPINMFFCFLILRYRYHLFNYVGAFIIVVTIAVVEFMLSFETQEENSIVFNLVLIASLIPLSFSNMTREIVFKKYKIN
|
39
|
+
ILRLNAVVSFFQIFTSCLMLPMYTLPFLKQINLPFSEIGTNIKNGFRCLFLGQNTIVENCGLGMSKMCDDCEGAWKTFIA
|
40
|
+
YSFFNICDNLITSFIIEKFSTMTYTIVSCIQGPAIAIAYYFKFLAGDAVMQPRMLDFVTLFGYLFGSIIYRIGNIILEKK
|
41
|
+
RMMEAGNDDDSEGELTNADSIITH
|
42
|
+
>TGME49_113930 hypothetical protein, conserved
|
43
|
+
MPNYSPCLTQVTTVVFVPVFFALSLYTDYAGGLPQEMADFPKRNFAVMGFLDSFSGVMAIIGAVHTTGTTQVVLQQSCIV
|
44
|
+
FSLLASIVMLRKRFHAAHYLGALVIILGVLVVKLPDLLHPSSDGGGDVFVFNLLYLLSNLPTAVSCVYKEVAFRGVEMGT
|
45
|
+
NYLQAWVALFQFLIGFLVLPLNALPVLGPQRVPLAELPASLWNGTRCLFGFNTIVTNCGGAGNMESPCDNCEGAWKYVGM
|
46
|
+
YLSFNLLYNMFIIFVVKSGGAALTFLVSTLRLPVTALAFCSRAIMGDRAVPPKATDFYGLLVLILGLVIYRAGGIMKRRA
|
47
|
+
QRRAVAAARGHTSSPMMLTPREEEQIGTIFVEEVFAAGELEDGGVTEEDETDDDTSEVEVHPVFSSVVASEPPHVYVHTK
|
48
|
+
RHSHSDGGYHKLPACGSSPAAFTPFTQRMPGTGSESCSRRRNRDGDDERSPRSHACSFDEETGFAGGTGTGRHFSSPGTA
|
49
|
+
LSPNRVGGYEPPSMHAVQPAVIGKSRANNGCI
|
Binary file
|
Binary file
|
Binary file
|
data/test/test_bio-octopus.rb
CHANGED
@@ -1,8 +1,9 @@
|
|
1
1
|
require 'helper'
|
2
2
|
require 'tempfile'
|
3
|
-
require 'bio-tm_hmm'
|
4
3
|
|
5
4
|
class TestBioOctopus < Test::Unit::TestCase
|
5
|
+
DATA_DIR = File.join(Dir.pwd,'test','data')
|
6
|
+
|
6
7
|
def test_no_tmd_result
|
7
8
|
res = Bio::Spoctopus::Result.create_from_output([
|
8
9
|
'>wrapperSeq',
|
@@ -81,58 +82,23 @@ iiiiiiiiiMMMMMMMMMMMMMMMMMMMMMooooo'
|
|
81
82
|
assert_equal false, res.signal?
|
82
83
|
assert res.has_domain?
|
83
84
|
end
|
84
|
-
|
85
|
-
def
|
86
|
-
|
87
|
-
|
88
|
-
|
89
|
-
|
90
|
-
|
91
|
-
|
92
|
-
|
93
|
-
|
94
|
-
|
95
|
-
|
96
|
-
|
97
|
-
|
98
|
-
|
99
|
-
|
100
|
-
|
101
|
-
|
102
|
-
assert_equal 1, r.transmembrane_domains.length
|
103
|
-
t = r.transmembrane_domains[0]
|
104
|
-
assert_equal 1833, t.start
|
105
|
-
assert_equal 1853, t.stop
|
106
|
-
assert r.transmembrane_type_1?
|
107
|
-
end
|
108
|
-
|
109
|
-
Tempfile.open('spock') do |tempfile|
|
110
|
-
tempfile.puts 'pfa|PFD0635c I 1833 1853 outside_in
|
111
|
-
pfa|PFD0595c II 2 22 inside_out
|
112
|
-
pfa|PFB0610c No Transmembrane Domain Found
|
113
|
-
pfa|PFF1525c Unknown 2 22 outside_in
|
114
|
-
pfa|PFF1525c Unknown 160 180 inside_out
|
115
|
-
pfa|PFF1525c Unknown 188 208 outside_in'
|
116
|
-
tempfile.flush
|
117
|
-
|
118
|
-
pees = Bio::Spoctopus::WrapperParser.new(tempfile.path).transmembrane_proteins
|
119
|
-
assert_equal 4, pees.length
|
120
|
-
r = pees[0]
|
121
|
-
assert_equal 'pfa|PFD0635c', r.name
|
122
|
-
assert_equal 1, r.transmembrane_domains.length
|
123
|
-
t = r.transmembrane_domains[0]
|
124
|
-
assert_equal 1833, t.start
|
125
|
-
assert_equal 1853, t.stop
|
126
|
-
assert r.transmembrane_type_1?
|
127
|
-
|
128
|
-
r = pees[1]
|
129
|
-
|
130
|
-
assert r.transmembrane_type_2?
|
131
|
-
|
132
|
-
assert_equal 'pfa|PFB0610c', pees[2].name
|
133
|
-
assert_equal false, pees[2].has_domain?
|
134
|
-
|
135
|
-
assert_equal 3, pees[3].transmembrane_domains.length
|
136
|
-
end
|
85
|
+
|
86
|
+
def test_wrapper_by_actually_running_the_underlying_program
|
87
|
+
sequence = "MKFASKKNNQKNSSKNDERYRELDNLVQEGNGSRLGGGSCLGKCAHVFKLIFKEIKDNIFIYILSIIYLSVCVMNKIFAK
|
88
|
+
RTLNKIGNYSFVTSETHNFICMIMFFIVYSLFGNKKGNSKERHRSFNLQFFAISMLDACSVILAFIGLTRTTGNIQSFVL
|
89
|
+
QLSIPINMFFCFLILRYRYHLYNYLGAVIIVVTIALVEMKLSFETQEENSIIFNLVLISALIPVCFSNMTREIVFKKYKI
|
90
|
+
DILRLNAMVSFFQLFTSCLILPVYTLPFLKQLHLPYNEIWTNIKNGFACLFLGRNTVVENCGLGMAKLCDDCDGAWKTFA
|
91
|
+
LFSFFNICDNLITSYIIDKFSTMTYTIVSCIQGPAIAIAYYFKFLAGDVVREPRLLDFVTLFGYLFGSIIYRVGNIILER
|
92
|
+
KKMRNEENEDSEGELTNVDSIITQ".gsub(/\n/,'') #this is PfCRT, MAL7P1.27
|
93
|
+
Tempfile.open('pfcrt') do |tempfile|
|
94
|
+
tempfile.puts sequence
|
95
|
+
tempfile.close
|
96
|
+
|
97
|
+
blastdb_path = File.join(DATA_DIR,'dummyLegacyDb')
|
98
|
+
result = Bio::Spoctopus::Wrapper.new.calculate(sequence, blastdb_path)
|
99
|
+
assert_kind_of Bio::Transmembrane::SignalPeptideTransmembraneDomainProtein, result
|
100
|
+
assert_equal false, result.signal?
|
101
|
+
assert_equal 58, result.transmembrane_domains[0].start
|
102
|
+
end
|
137
103
|
end
|
138
104
|
end
|
metadata
CHANGED
@@ -1,13 +1,13 @@
|
|
1
1
|
--- !ruby/object:Gem::Specification
|
2
2
|
name: bio-octopus
|
3
3
|
version: !ruby/object:Gem::Version
|
4
|
-
hash:
|
4
|
+
hash: 27
|
5
5
|
prerelease:
|
6
6
|
segments:
|
7
7
|
- 0
|
8
|
-
- 0
|
9
8
|
- 1
|
10
|
-
|
9
|
+
- 0
|
10
|
+
version: 0.1.0
|
11
11
|
platform: ruby
|
12
12
|
authors:
|
13
13
|
- Ben J Woodcroft
|
@@ -15,8 +15,8 @@ autorequire:
|
|
15
15
|
bindir: bin
|
16
16
|
cert_chain: []
|
17
17
|
|
18
|
-
date: 2011-04-
|
19
|
-
default_executable:
|
18
|
+
date: 2011-04-17 00:00:00 +10:00
|
19
|
+
default_executable:
|
20
20
|
dependencies:
|
21
21
|
- !ruby/object:Gem::Dependency
|
22
22
|
type: :runtime
|
@@ -141,6 +141,7 @@ dependencies:
|
|
141
141
|
description: Running and parsing of the protein transmembrane domain predictor octopus
|
142
142
|
email: gmail.com after donttrustben
|
143
143
|
executables:
|
144
|
+
- biooctopus.rb
|
144
145
|
- biooctopus
|
145
146
|
extensions: []
|
146
147
|
|
@@ -158,8 +159,13 @@ files:
|
|
158
159
|
- bio-octopus.gemspec
|
159
160
|
- lib/bio-octopus.rb
|
160
161
|
- lib/bio/appl/octopus.rb
|
162
|
+
- test/data/dummyLegacyDb
|
163
|
+
- test/data/dummyLegacyDb.phr
|
164
|
+
- test/data/dummyLegacyDb.pin
|
165
|
+
- test/data/dummyLegacyDb.psq
|
161
166
|
- test/helper.rb
|
162
167
|
- test/test_bio-octopus.rb
|
168
|
+
- bin/biooctopus.rb
|
163
169
|
has_rdoc: true
|
164
170
|
homepage: http://github.com/wwood/bioruby-octopus
|
165
171
|
licenses:
|