Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite/galaxyconfigs/tools/Converter.xml @ 4:af446ca2d5c6
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author | marcel |
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date | Fri, 02 Sep 2011 08:54:17 -0400 |
parents | bb26168c5715 |
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3:bb26168c5715 | 4:af446ca2d5c6 |
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1 | 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.--> | 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="0.95"> | 3 <tool id="converter" name="Converter" version="0.9.6"> |
4 <description>interconvert molecular file-formats</description> | 4 <description>interconvert molecular file-formats</description> |
5 <command interpreter="bash"><![CDATA[../../Converter | 5 <command interpreter="bash"><![CDATA[../../Converter |
6 #if str( $i ) != '' and str( $i ) != 'None' : | 6 #if str( $i ) != '' and str( $i ) != 'None' : |
7 -i "$i" | 7 -i "$i" |
8 #end if | 8 #end if |
9 #if str( $o ) != '' and str( $o ) != 'None' : | 9 #if str( $o ) != '' and str( $o ) != 'None' : |
10 -o "$o" | 10 -o "$o" |
11 #end if | 11 #end if |
12 #if str( $f ) != '' and str( $f ) != 'None' : | 12 #if str( $f ) != '' and str( $f ) != 'None' : |
13 -f "$f" | 13 -f "$f" |
14 #end if | |
15 #if str( $rm ) != '' and str( $rm ) != 'None' : | |
16 -rm | |
14 #end if | 17 #end if |
15 | tail -n 5 | 18 | tail -n 5 |
16 ]]></command> | 19 ]]></command> |
17 <inputs> | 20 <inputs> |
18 <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> | 21 <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> |
25 <option value="ent">ent</option> | 28 <option value="ent">ent</option> |
26 <option value="brk">brk</option> | 29 <option value="brk">brk</option> |
27 <option value="hin">hin</option> | 30 <option value="hin">hin</option> |
28 <option value="mol">mol</option> | 31 <option value="mol">mol</option> |
29 <option value="xyz">xyz</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> | |
30 </param> | 43 </param> |
44 <param name="rm" optional="true" label="remove input file when finished" type="boolean" truevalue="true" falsevalue=""/> | |
31 </inputs> | 45 </inputs> |
32 <outputs> | 46 <outputs> |
33 <data name="o" format="mol2/sdf/drf"> | 47 <data name="o" format="mol2/sdf/drf"> |
34 <change_format> | 48 <change_format> |
35 <when input="f" value="mol2" format="mol2"/> | 49 <when input="f" value="mol2" format="mol2"/> |
40 <when input="f" value="ent" format="ent"/> | 54 <when input="f" value="ent" format="ent"/> |
41 <when input="f" value="brk" format="brk"/> | 55 <when input="f" value="brk" format="brk"/> |
42 <when input="f" value="hin" format="hin"/> | 56 <when input="f" value="hin" format="hin"/> |
43 <when input="f" value="mol" format="mol"/> | 57 <when input="f" value="mol" format="mol"/> |
44 <when input="f" value="xyz" format="xyz"/> | 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"/> | |
45 </change_format> | 69 </change_format> |
46 </data> | 70 </data> |
47 </outputs> | 71 </outputs> |
48 <help>This tool can be used to convert between different molecular file-formats. | 72 <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> | 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> |
50 </tool> | 74 </tool> |