Mercurial > repos > luis > ball
comparison galaxy_stubs/PeptideBuilder.xml @ 2:605370bc1def draft default tip
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author | luis |
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date | Tue, 12 Jul 2016 12:33:33 -0400 |
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1:31013b5cd066 | 2:605370bc1def |
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1 <?xml version='1.0' encoding='UTF-8'?> | |
2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.--> | |
3 <!--Proposed Tool Section: [Preparation]--> | |
4 <tool id="PeptideBuilder" name="PeptideBuilder" version="1.1.0"> | |
5 <description>build a peptide </description> | |
6 <macros> | |
7 <token name="@EXECUTABLE@">PeptideBuilder</token> | |
8 <import>macros.xml</import> | |
9 </macros> | |
10 <expand macro="stdio"/> | |
11 <expand macro="requirements"/> | |
12 <command>PeptideBuilder | |
13 | |
14 #if $param_i: | |
15 -i $param_i | |
16 #end if | |
17 #if $param_o: | |
18 -o $param_o | |
19 #end if | |
20 </command> | |
21 <inputs> | |
22 <param name="param_i" type="data" format="txt" optional="False" value="<class 'CTDopts.CTDopts._Null'>" label="input torsion-file" help="(-i) "/> | |
23 </inputs> | |
24 <expand macro="advanced_options"/> | |
25 <outputs> | |
26 <data name="param_o" format="pdb"/> | |
27 </outputs> | |
28 <help>This tool creates a peptide by a given torsion file. The amino acids shall be given in three letter code, the phi, psi, and omega angles shall be given in degree. | |
29 | |
30 Example: | |
31 | |
32 # aa phi psi omega | |
33 | |
34 A -180 140 | |
35 | |
36 C -180 180 | |
37 | |
38 G -90 -140 | |
39 | |
40 P -65 -40 0 # cis | |
41 | |
42 T -120 -90 | |
43 | |
44 P -78 146 180 # trans | |
45 | |
46 </help> | |
47 </tool> |