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comparison galaxy_stubs/MolDepict.xml @ 2:605370bc1def draft default tip

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author luis
date Tue, 12 Jul 2016 12:33:33 -0400
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1:31013b5cd066 2:605370bc1def
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: [Convert, combine and store]-->
4 <tool id="MolDepict" name="MolDepict" version="1.1.0">
5 <description>create structure diagrams</description>
6 <macros>
7 <token name="@EXECUTABLE@">MolDepict</token>
8 <import>macros.xml</import>
9 </macros>
10 <expand macro="stdio"/>
11 <expand macro="requirements"/>
12 <command>MolDepict
13
14 #if $param_i:
15 -i $param_i
16 #end if
17 #if $param_o:
18 -o $param_o
19 #end if
20 #if $param_max:
21 -max $param_max
22 #end if
23 </command>
24 <inputs>
25 <param name="param_i" type="data" format="xyz.gz,ac,drf.gz,mol2.gz,mol2,sdf.gz,pdb.gz,ent.gz,mol.gz,hin.gz,sdf,ent,brk.gz,mol,ac.gz,brk,xyz,pdb,hin,drf" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="input file" help="(-i) "/>
26 <param name="param_max" type="integer" value="60" label="maximal number of pictures (default=60, 0=unlimited)" help="(-max) "/>
27 </inputs>
28 <expand macro="advanced_options"/>
29 <outputs>
30 <data name="param_o" format="pdf"/>
31 </outputs>
32 <help>This tool create structure diagrams for small molecules.
33 Supported input-formats are mol, mol2, sdf, drf.
34
35 Output of this tool is one pdf-file containing the structure diagrams for all molecules in the input-file.
36
37 </help>
38 </tool>