changeset 2:bad150d12198 draft

"planemo upload for repository commit 2b3d8dbb80e5060a769308ed67e6149eb217ed6d"
author bgruening
date Fri, 18 Oct 2019 07:09:05 -0400
parents 5f291eef9ef3
children 1709d2c3dc20
files rbdock.xml
diffstat 1 files changed, 2 insertions(+), 2 deletions(-) [+]
line wrap: on
line diff
--- a/rbdock.xml	Fri Oct 11 18:35:42 2019 -0400
+++ b/rbdock.xml	Fri Oct 18 07:09:05 2019 -0400
@@ -1,4 +1,4 @@
-<tool id="rdock_rbdock" name="rDock docking" version="0.1.1">
+<tool id="rdock_rbdock" name="rDock docking" version="0.1.2">
     <description>- perform protein-ligand docking with rDock</description>
@@ -34,7 +34,7 @@
         <param type="data" name="receptor" format="mol2" label="Receptor" help="Select a receptor (mol2 format)."/>
         <param type="data" name="active_site" format="rdock_as" label="Active site" help="Active site file"/>
-        <param type="data" name="ligands" format="sdf" label="Ligands" help="Ligands in SDF format"/>
+        <param type="data" name="ligands" format="sdf,mol" label="Ligands" help="Ligands in SDF format (or single ligand in MOL format)"/>
         <param name="num" type="integer" value="10" label="Number of dockings" help="Number of poses to generate"/>
         <param name="top" type="integer" value="1" label="Number of best poses" help="Number of best scoring poses to keep"/>
         <param name="score" type="float" optional="true" label="Score filter"