Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/InputReader.xml @ 5:b7a89b15646f
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author | marcel |
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date | Tue, 12 Jul 2011 10:23:33 -0400 |
parents | bac3c274238f |
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4:02c8570cde57 | 5:b7a89b15646f |
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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="inputreader" name="InputReader" version="1.1"> | 3 <tool id="inputreader" name="InputReader" version="0.95"> |
4 <description>generate QSAR data set</description> | 4 <description>generate QSAR data set</description> |
5 <command interpreter="bash"><![CDATA[../../InputReader | 5 <command interpreter="bash"><![CDATA[../../InputReader |
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 |
37 -csv_dl | 37 -csv_dl |
38 #end if | 38 #end if |
39 | tail -n 5 | 39 | tail -n 5 |
40 ]]></command> | 40 ]]></command> |
41 <inputs> | 41 <inputs> |
42 <param name="i" label="input sd-file" optional="false" type="data" format="sdf"/> | 42 <param name="i" optional="false" label="input sd-file" type="data" format="sdf"/> |
43 <param name="csv" label="input csv-file w/ additional descriptors" optional="true" type="data" format="csv"/> | 43 <param name="csv" optional="true" label="input csv-file w/ additional descriptors" type="data" format="csv"/> |
44 <param name="act" label="sd-property containing response values" optional="true" area="true" type="text" size="1x15"/> | 44 <param name="act" optional="true" label="Optional: sd-property containing response values" area="true" type="text" size="1x15"/> |
45 <param name="csv_nr" label="no. of response variables in csv-file" optional="true" type="text" area="true" size="1x5" value=""/> | 45 <param name="csv_nr" optional="true" label="Optional: no. of response variables in csv-file" type="text" area="true" size="1x5" value=""/> |
46 <param name="csv_sep" label="separator symbol in csv-file" optional="true" type="text" area="true" size="1x5" value=""/> | 46 <param name="csv_sep" optional="true" label="Optional: separator symbol in csv-file" type="text" area="true" size="1x5" value=""/> |
47 <param name="sdp" label="use sd-properties as additional descriptors" optional="true" type="boolean" truevalue="true" falsevalue=""/> | 47 <param name="sdp" optional="true" label="use sd-properties as additional descriptors" type="boolean" truevalue="true" falsevalue=""/> |
48 <param name="no_cd" label="do not center descriptors" optional="true" type="boolean" truevalue="true" falsevalue=""/> | 48 <param name="no_cd" optional="true" label="do not center descriptors" type="boolean" truevalue="true" falsevalue=""/> |
49 <param name="no_cr" label="do not center response values" optional="true" type="boolean" truevalue="true" falsevalue=""/> | 49 <param name="no_cr" optional="true" label="do not center response values" type="boolean" truevalue="true" falsevalue=""/> |
50 <param name="csv_cl" label="csv-file has compound (row) labels" optional="true" type="boolean" truevalue="true" falsevalue=""/> | 50 <param name="csv_cl" optional="true" label="csv-file has compound (row) labels" type="boolean" truevalue="true" falsevalue=""/> |
51 <param name="csv_dl" label="csv-file has descriptor (column) labels" optional="true" type="boolean" truevalue="true" falsevalue=""/> | 51 <param name="csv_dl" optional="true" label="csv-file has descriptor (column) labels" type="boolean" truevalue="true" falsevalue=""/> |
52 </inputs> | 52 </inputs> |
53 <outputs> | 53 <outputs> |
54 <data name="o" format="dat"/> | 54 <data name="o" format="dat"/> |
55 </outputs> | 55 </outputs> |
56 <help>This tool reads input from sd-files and generate features for QSAR analysis. | 56 <help>This tool reads input from sd-files and generate features for QSAR analysis. |