Mercurial > repos > marcel > caddsuite_mac10_6

comparison CADDSuite-1.6/galaxyconfigs/tools/Converter.xml @ 8:dbb480e39d95 draft

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author marcel
date Sat, 15 Dec 2012 13:15:46 -0500
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7:bfab27640f5e 8:dbb480e39d95
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="1.6">
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 #if str( $rm ) != '' and str( $rm ) != 'None' :
16 -rm
17 #end if
18 | tail -n 5
19 ]]></command>
20 <inputs>
21 <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/>
22 <param name="f" optional="true" label="output format" type="select">
23 <option value="mol2">mol2</option>
24 <option value="sdf">sdf</option>
25 <option value="drf">drf</option>
26 <option value="pdb">pdb</option>
27 <option value="ac">ac</option>
28 <option value="ent">ent</option>
29 <option value="brk">brk</option>
30 <option value="hin">hin</option>
31 <option value="mol">mol</option>
32 <option value="xyz">xyz</option>
33 <option value="mol2.gz">mol2.gz</option>
34 <option value="sdf.gz">sdf.gz</option>
35 <option value="drf.gz">drf.gz</option>
36 <option value="pdb.gz">pdb.gz</option>
37 <option value="ac.gz">ac.gz</option>
38 <option value="ent.gz">ent.gz</option>
39 <option value="brk.gz">brk.gz</option>
40 <option value="hin.gz">hin.gz</option>
41 <option value="mol.gz">mol.gz</option>
42 <option value="xyz.gz">xyz.gz</option>
43 </param>
44 <param name="rm" optional="true" label="remove input file when finished" type="boolean" truevalue="true" falsevalue=""/>
45 </inputs>
46 <outputs>
47 <data name="o" format="mol2/sdf/drf">
48 <change_format>
49 <when input="f" value="mol2" format="mol2"/>
50 <when input="f" value="sdf" format="sdf"/>
51 <when input="f" value="drf" format="drf"/>
52 <when input="f" value="pdb" format="pdb"/>
53 <when input="f" value="ac" format="ac"/>
54 <when input="f" value="ent" format="ent"/>
55 <when input="f" value="brk" format="brk"/>
56 <when input="f" value="hin" format="hin"/>
57 <when input="f" value="mol" format="mol"/>
58 <when input="f" value="xyz" format="xyz"/>
59 <when input="f" value="mol2.gz" format="mol2.gz"/>
60 <when input="f" value="sdf.gz" format="sdf.gz"/>
61 <when input="f" value="drf.gz" format="drf.gz"/>
62 <when input="f" value="pdb.gz" format="pdb.gz"/>
63 <when input="f" value="ac.gz" format="ac.gz"/>
64 <when input="f" value="ent.gz" format="ent.gz"/>
65 <when input="f" value="brk.gz" format="brk.gz"/>
66 <when input="f" value="hin.gz" format="hin.gz"/>
67 <when input="f" value="mol.gz" format="mol.gz"/>
68 <when input="f" value="xyz.gz" format="xyz.gz"/>
69 </change_format>
70 </data>
71 </outputs>
72 <help>This tool can be used to convert between different molecular file-formats.
73 Supported formats are mol2, sdf, drf, pdb, ac, ent, brk, hin, mol, xyz, mol2.gz, sdf.gz, drf.gz, pdb.gz, ac.gz, ent.gz, brk.gz, hin.gz, mol.gz, xyz.gz.</help>
74 </tool>