# HG changeset patch
# User bgruening
# Date 1368306830 14400
# Node ID 6c8f72ee4a518d8ed636ddbbe722e9f2009d435d
# Parent  09acaeb233d1475156ac87f23dc51ef27b332771
Uploaded

diff -r 09acaeb233d1 -r 6c8f72ee4a51 confab.xml
--- a/confab.xml	Fri Apr 26 11:09:51 2013 -0400
+++ b/confab.xml	Sat May 11 17:13:50 2013 -0400
@@ -1,5 +1,6 @@
 <tool id="confab" name="Conformer calculation" version="0.1">
     <description>for molecules (confab)</description>
+    <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="100" shared_inputs="" merge_outputs="outfile"></parallelism>
     <requirements>
         <requirement type="package" version="1.0.1">confab</requirement>
     </requirements>
@@ -14,7 +15,7 @@
         $outfile 2>&#38;1
     </command>
     <inputs>
-        <param name="infile" type="data" format="sdf,pdb,mol2" label="Dataset" help="Dataset missing? See TIP below"/>
+        <param name="infile" type="data" format="sdf,mol2" label="Dataset" help="Dataset missing? See TIP below"/>
         <param name='RMSD' type='float' value='0.5' label='RMSD cutoff (in Angstrom)' />
         <param name='energy' type='float' value='50.0' label='Energy cutoff (in kcal/mol)' />
         <param name='conformers' type='integer' value='100000' label='Max number of conformers to test' />
diff -r 09acaeb233d1 -r 6c8f72ee4a51 repository_dependencies.xml
--- a/repository_dependencies.xml	Fri Apr 26 11:09:51 2013 -0400
+++ b/repository_dependencies.xml	Sat May 11 17:13:50 2013 -0400
@@ -1,4 +1,4 @@
 <?xml version="1.0"?>
 <repositories description="This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format).">
-    <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="molecule_datatypes" owner="bgruening" changeset_revision="e533de975501" />
+    <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="molecule_datatypes" owner="bgruening" changeset_revision="1a070566e9c6" />
 </repositories>