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comparison tool-data/msgfplus_mods_var.loc.sample @ 16:66a149ef79f7 draft

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planemo upload for repository https://github.com/iracooke/protk-galaxytools/blob/master/msgfplus/.shed.yml commit 24e0fef2496984648a8a5cd5bff4d6b9b634a302-dirty
author iracooke
date Tue, 20 Oct 2015 20:01:47 -0400
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15:6c751c59ce18 16:66a149ef79f7
1 #This file lists the names of inbuilt chemical modifications accepted by msgfplus
2 #Each entry consists of 4 tab separated fields like this
3 #<Displayed Name> <DBKey> <Modification String> <DBKey>
4 #
5 #Modification strings should conform to the standard MSGFPlus syntax with the following exception
6 #The ModType field is overridden by the msgfplus_search.rb tool. In other words any of these mods
7 #May be passed to the tool as a variable or fixed mod and the tool will substitute the appropriate ModType
8 #value
9 #
10 #Standard MSGFPlus syntax is
11 #
12 # To input a modification, use the following command:
13 # Mass or CompositionStr, Residues, ModType, Position, Name (all the five fields are required).
14 # CompositionStr (C[Num]H[Num]N[Num]O[Num]S[Num]P[Num])
15 # - C (Carbon), H (Hydrogen), N (Nitrogen), O (Oxygen), S (Sulfer) and P (Phosphorus) are allowed.
16 # - Atom can be omitted. The sequence of atoms must be followed.
17 # - Negative numbers are allowed.
18 # - E.g. C2H2O1 (valid), H2C1O1 (invalid)
19 # Mass can be used instead of CompositionStr. It is important to specify accurate masses (integer masses are insufficient).
20 # - E.g. 15.994915
21 # Residues: affected amino acids (must be upper letters)
22 # - Must be uppor letters or *
23 # - Use * if this modification is applicable to any residue.
24 # - * should not be "anywhere" modification (e.g. "15.994915, *, opt, any, Oxidation" is not allowed.)
25 # - E.g. NQ, *
26 # ModType: "fix" for fixed modifications, "opt" for variable modifications (case insensitive)
27 # Position: position in the peptide where the modification can be attached.
28 # - One of the following five values should be used:
29 # - any (anywhere), N-term (peptide N-term), C-term (peptide C-term), Prot-N-term (protein N-term), Prot-C-term (protein C-term)
30 # - Case insensitive
31 # - "-" can be omitted
32 # - E.g. any, Any, Prot-n-Term, ProtNTerm => all valid
33 # Name: name of the modification (Unimod PSI-MS name)
34 # - For proper mzIdentML output, this name should be the same as the Unimod PSI-MS name
35 # - E.g. Phospho, Acetyl
36 #C2H3N1O1,C,fix,any,Carbamidomethyl # Fixed Carbamidomethyl C
37 # Variable Modifications (default: none)
38 #O1,M,opt,any,Oxidation # Oxidation M
39 #15.994915,M,opt,any,Oxidation # Oxidation M (mass is used instead of CompositionStr)
40 #H-1N-1O1,NQ,opt,any,Deamidated # Negative numbers are allowed.
41 #C2H3NO,*,opt,N-term,Carbamidomethyl # Variable Carbamidomethyl N-term
42 #H-2O-1,E,opt,N-term,Pyro_glu # Pyro-glu from E
43 #H-3N-1,Q,opt,N-term,Pyro-glu # Pyro-glu from Q
44 #C2H2O,*,opt,Prot-N-term,Acetyl # Acetylation Protein N-term
45 #C2H2O1,K,opt,any,Acetyl # Acetylation K
46 #CH2,K,opt,any,Methy # Methylation K
47 #HO3P,STY,opt,any,Phospho # Phosphorylation STY
48
49 Oxidation M oxidation_m_ O1,M,opt,any,Oxidation oxidation_m_
50 Acetylation Protein N-term acetyl_nterm_ C2H2O,*,opt,Prot-N-term,Acetyl acetyl_nterm_
51 Deamidation NQ deamidation_nq_ H-1N-1O1,NQ,opt,any,Deamidated deamidation_nq_
52 Acetylation K acetyl_k_ C2H2O1,K,opt,any,Acetyl acetyl_k_
53 Methylation K methyl_k_ CH2,K,opt,any,Methy methyl_k_
54 Phosphorylation STY phospho_sty_ HO3P,STY,opt,any,Phospho phospho_sty_
55 Carbamidomethyl N-term carbamidomethyl_nterm_ C2H3NO,*,opt,N-term,Carbamidomethyl carbamidomethyl_nterm_