diff CADDSuite-1.6/galaxyconfigs/tools/MolDepict.xml @ 18:026f5a483650 draft default tip

Deleted selected files
author marcel
date Sun, 30 Nov 2014 03:47:45 -0500
parents 25a03362403c
children
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--- a/CADDSuite-1.6/galaxyconfigs/tools/MolDepict.xml	Sat Dec 15 13:10:41 2012 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,28 +0,0 @@
-
-<!--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.-->
-<tool id="moldepict" name="MolDepict" version="1.6">
-    <description>create structure diagrams</description>
-    <command interpreter="bash"><![CDATA[../../MolDepict 
-#if str( $i ) != ''  and str( $i ) != 'None' :
-   -i "$i"
-#end if
-#if str( $o ) != ''  and str( $o ) != 'None' :
-   -o "$o"
-#end if
-#if str( $max ) != ''  and str( $max ) != 'None' :
-   -max "$max"
-#end if
- | tail -n 5
-]]></command>
-    <inputs>
-        <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/>
-        <param name="max" optional="true" label="Optional: maximal number of pictures (default=60, 0=unlimited)" type="text" area="true" size="1x5" value="60"/>
-    </inputs>
-    <outputs>
-        <data name="o" format="pdf"/>
-    </outputs>
-    <help>This tool create structure diagrams for small molecules.
-Supported input-formats are mol, mol2, sdf, drf.
-
-Output of this tool is one pdf-file containing the structure diagrams for all molecules in the input-file.</help>
-</tool>
\ No newline at end of file