Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite/galaxyconfigs/tools/MolFilter.xml @ 5:b7a89b15646f
Uploaded
author | marcel |
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date | Tue, 12 Jul 2011 10:23:33 -0400 |
parents | bac3c274238f |
children |
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--- a/CADDSuite/galaxyconfigs/tools/MolFilter.xml Tue Jun 28 10:37:20 2011 -0400 +++ b/CADDSuite/galaxyconfigs/tools/MolFilter.xml Tue Jul 12 10:23:33 2011 -0400 @@ -40,16 +40,16 @@ | tail -n 5 ]]></command> <inputs> - <param name="i" label="input molecule-file" optional="false" type="data" format="mol2/sdf/drf"/> - <param name="q" label="query molecules for similarity searching" optional="true" type="data" format="txt"/> - <param name="smarts_file" label="SMARTS pattern" optional="true" type="data" format="data"/> - <param name="min_logP" label="minimal logP value" optional="true" type="text" area="true" size="1x5" value=""/> - <param name="max_logP" label="maximal logP value" optional="true" type="text" area="true" size="1x5" value=""/> - <param name="min_MW" label="minimal molecular weight" optional="true" type="text" area="true" size="1x5" value=""/> - <param name="max_MW" label="maximal molecular weight" optional="true" type="text" area="true" size="1x5" value=""/> - <param name="min_sim" label="minimal average similarity" optional="true" type="text" area="true" size="1x5" value=""/> - <param name="max_sim" label="maximal similarity" optional="true" type="text" area="true" size="1x5" value=""/> - <param name="smarts" label="SMARTS pattern" optional="true" area="true" type="text" size="1x15"/> + <param name="i" optional="false" label="input molecule-file" type="data" format="mol2/sdf/drf"/> + <param name="q" optional="true" label="query molecules for similarity searching" type="data" format="txt"/> + <param name="smarts_file" optional="true" label="SMARTS pattern" type="data" format="data"/> + <param name="min_logP" optional="true" label="Optional: minimal logP value" type="text" area="true" size="1x5" value=""/> + <param name="max_logP" optional="true" label="Optional: maximal logP value" type="text" area="true" size="1x5" value=""/> + <param name="min_MW" optional="true" label="Optional: minimal molecular weight" type="text" area="true" size="1x5" value=""/> + <param name="max_MW" optional="true" label="Optional: maximal molecular weight" type="text" area="true" size="1x5" value=""/> + <param name="min_sim" optional="true" label="Optional: minimal average similarity" type="text" area="true" size="1x5" value=""/> + <param name="max_sim" optional="true" label="Optional: maximal similarity" type="text" area="true" size="1x5" value=""/> + <param name="smarts" optional="true" label="Optional: SMARTS pattern" area="true" type="text" size="1x15"/> </inputs> <outputs> <data name="o" format="mol2/sdf/drf" format_source="i"/>