comparison CADDSuite/galaxyconfigs/tools/Converter.xml @ 0:8ce0411aaeb3

Uploaded CADDSuite version 0.94
author marcel
date Sun, 26 Jun 2011 14:01:09 -0400
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:8ce0411aaeb3
1
2 <!--This is a configuration file for the integration of a CADDSuite tool into Galaxy (http://usegalaxy.org). This file was automatically generated using GalaxyConfigGenerator, so do not bother to make too many manual modifications.-->
3 <tool id="converter" name="Converter" version="0.94">
4 <description>interconvert molecular file-formats</description>
5 <command interpreter="bash"><![CDATA[../../Converter
6 #if str( $i ) != '' and str( $i ) != 'None' :
7 -i "$i"
8 #end if
9 #if str( $o ) != '' and str( $o ) != 'None' :
10 -o "$o"
11 #end if
12 #if str( $f ) != '' and str( $f ) != 'None' :
13 -f "$f"
14 #end if
15 | tail -n 5
16 ]]></command>
17 <inputs>
18 <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/>
19 <param name="f" label="output format" optional="true" type="select">
20 <option value="mol2">mol2</option>
21 <option value="sdf">sdf</option>
22 <option value="drf">drf</option>
23 <option value="pdb">pdb</option>
24 <option value="ac">ac</option>
25 <option value="ent">ent</option>
26 <option value="brk">brk</option>
27 <option value="hin">hin</option>
28 <option value="mol">mol</option>
29 <option value="xyz">xyz</option>
30 </param>
31 </inputs>
32 <outputs>
33 <data name="o" format="mol2/sdf/drf">
34 <change_format>
35 <when input="f" value="mol2" format="mol2"/>
36 <when input="f" value="sdf" format="sdf"/>
37 <when input="f" value="drf" format="drf"/>
38 <when input="f" value="pdb" format="pdb"/>
39 <when input="f" value="ac" format="ac"/>
40 <when input="f" value="ent" format="ent"/>
41 <when input="f" value="brk" format="brk"/>
42 <when input="f" value="hin" format="hin"/>
43 <when input="f" value="mol" format="mol"/>
44 <when input="f" value="xyz" format="xyz"/>
45 </change_format>
46 </data>
47 </outputs>
48 <help>This tool can be used to convert between different molecular file-formats.
49 Supported formats are mol2, sdf, drf, pdb, ac, ent, brk, hin, mol, xyz.</help>
50 </tool>