mspire-simulator 0.1.0 → 0.1.1
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- data/VERSION +1 -1
- data/bin/mspire-simulator +2 -0
- data/lib/ms/sim_digester.rb +7 -0
- data/mspire-simulator.gemspec +2 -3
- metadata +1 -2
- data/testFiles/contam/hum_keratin.fasta +0 -11
data/VERSION
CHANGED
@@ -1 +1 @@
|
|
1
|
-
0.1.
|
1
|
+
0.1.1
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data/bin/mspire-simulator
CHANGED
@@ -88,6 +88,7 @@ module MspireSimulator
|
|
88
88
|
#-----------------------Clean UP----------------------------------------------
|
89
89
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spectra.features.each{|fe| fe.delete}
|
90
90
|
peptides.clear
|
91
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+
digester.clean
|
91
92
|
#-----------------------------------------------------------------------------
|
92
93
|
|
93
94
|
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@@ -109,6 +110,7 @@ module MspireSimulator
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109
110
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if File.exists?(digester.digested_file)
|
110
111
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File.delete(digester.digested_file)
|
111
112
|
end
|
113
|
+
digester.clean
|
112
114
|
end
|
113
115
|
if spectra != nil
|
114
116
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spectra.features.each{|fe| fe.delete}
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data/lib/ms/sim_digester.rb
CHANGED
@@ -9,6 +9,13 @@ module MS
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|
9
9
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@digestor = digestor
|
10
10
|
@pH = pH
|
11
11
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@digested_file = ".#{Time.now.nsec.to_s}"
|
12
|
+
system("mkdir .m .i")
|
13
|
+
system("mkdir .m/A .m/R .m/N .m/D .m/C .m/E .m/Q .m/G .m/H .m/I .m/L .m/K .m/M .m/F .m/P .m/S .m/T .m/W .m/Y .m/V .m/U .m/O")
|
14
|
+
system("mkdir .i/A .i/R .i/N .i/D .i/C .i/E .i/Q .i/G .i/H .i/I .i/L .i/K .i/M .i/F .i/P .i/S .i/T .i/W .i/Y .i/V .i/U .i/O")
|
15
|
+
end
|
16
|
+
|
17
|
+
def clean
|
18
|
+
system("rm -r -f .m .i")
|
12
19
|
end
|
13
20
|
|
14
21
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def create_digested_file(file)
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data/mspire-simulator.gemspec
CHANGED
@@ -5,7 +5,7 @@
|
|
5
5
|
|
6
6
|
Gem::Specification.new do |s|
|
7
7
|
s.name = "mspire-simulator"
|
8
|
-
s.version = "0.1.
|
8
|
+
s.version = "0.1.1"
|
9
9
|
|
10
10
|
s.required_rubygems_version = Gem::Requirement.new(">= 0") if s.respond_to? :required_rubygems_version=
|
11
11
|
s.authors = ["anoyce"]
|
@@ -52,8 +52,7 @@ Gem::Specification.new do |s|
|
|
52
52
|
"spec/peptide_spec.rb",
|
53
53
|
"spec/progress_spec.rb",
|
54
54
|
"spec/spec_helper.rb",
|
55
|
-
"spec/spectra_spec.rb"
|
56
|
-
"testFiles/contam/hum_keratin.fasta"
|
55
|
+
"spec/spectra_spec.rb"
|
57
56
|
]
|
58
57
|
s.homepage = "http://dl.dropbox.com/u/42836826/Ms_Sim_Homepage.html"
|
59
58
|
s.licenses = ["MIT"]
|
metadata
CHANGED
@@ -1,7 +1,7 @@
|
|
1
1
|
--- !ruby/object:Gem::Specification
|
2
2
|
name: mspire-simulator
|
3
3
|
version: !ruby/object:Gem::Version
|
4
|
-
version: 0.1.
|
4
|
+
version: 0.1.1
|
5
5
|
prerelease:
|
6
6
|
platform: ruby
|
7
7
|
authors:
|
@@ -217,7 +217,6 @@ files:
|
|
217
217
|
- spec/progress_spec.rb
|
218
218
|
- spec/spec_helper.rb
|
219
219
|
- spec/spectra_spec.rb
|
220
|
-
- testFiles/contam/hum_keratin.fasta
|
221
220
|
homepage: http://dl.dropbox.com/u/42836826/Ms_Sim_Homepage.html
|
222
221
|
licenses:
|
223
222
|
- MIT
|
@@ -1,11 +0,0 @@
|
|
1
|
-
>gi|18031719|gb|AY033495.1| Homo sapiens keratin protein K6irs (KRT6) mRNA, translated
|
2
|
-
MSRQLTHFPRGERLGFSGCSAVLSGGIGSSSASFRARVKGSASF
|
3
|
-
GSKSLSCLGGSRSLALSAAARRGGGRLGGFVGTAFGSAGLGPKCPSVCPPGGIPQVTV
|
4
|
-
NKSLLAPLNVEMDPEIQRVRAQEREQIKALNNKFASFIDKVRFLEQQNQVLETKWNLL
|
5
|
-
QQLDLNNCRKNLEPIYEGYISNLQKQLEMLSGDGVRLDSELRNMQDLVEDYKKRYEVE
|
6
|
-
INRRTAAENEFVVLKKDVDAAYMNKVELQAKVDSLTDEIKFFKCLYEGEITQIQSHIS
|
7
|
-
DTSIVLSMDNNRDLDLDSIIAEVRAQYEEIALKSKAEAETLYQTKIQELQVTAGQHGD
|
8
|
-
DLKLTKAEISELNRLIQRIRSEIGNVKKCADLETAIADAEQRGDCALKDARAKLDELE
|
9
|
-
GALHQAKEELARMLREYQELVSLKLALDMEIATYRKLLESEECRMSGEYPNSVSISVI
|
10
|
-
SSTNAGAGGAGFSMGFGASSSYSYKTAAADVKTKGSCGSELKDPLAKTSGSSCATKKA
|
11
|
-
SR
|