# HG changeset patch
# User bgruening
# Date 1557250392 14400
# Node ID 119b462f0f691bf90246ee6ac8965d53b25adc7d
# Parent 4c4e812a67a2b560986ff2745f910d7e01272c75
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/confab commit ed9b6859de648aa5f7cde483732f5df20aaff90e
diff -r 4c4e812a67a2 -r 119b462f0f69 confab.xml
--- a/confab.xml Sat May 20 08:31:56 2017 -0400
+++ b/confab.xml Tue May 07 13:33:12 2019 -0400
@@ -13,6 +13,7 @@
-i ${infile.ext}
-o sdf
--confab
+ --verbose
--rcutoff $RMSD
--ecutoff $energy
--conf $conformers
@@ -21,12 +22,12 @@
]]>
-
-
-
-
+
+
+
+
+ label='Include the input conformation as the first conformer' help='If yes, the original conformation is included in the output file'/>
@@ -48,9 +49,9 @@
**What this tool does**
-Confab_ is a conformation generator. The algorithm starts with an input 3D structure which, after some initialisation steps, is used to generate multiple conformers which are filtered on-the-fly to identify diverse low energy conformers.
+Confab_ is a conformation generator. The algorithm starts with an input 3D structure which, after some initialization steps, is used to generate multiple conformers, which are filtered on-the-fly to identify diverse low-energy conformers.
-.. _Confab: https://code.google.com/p/confab/
+.. _Confab: https://open-babel.readthedocs.io/en/latest/3DStructureGen/multipleconformers.html#confab
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