Mercurial > repos > bgruening > chemfp

diff mol2fps.xml @ 11:92c7cdc243e8 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 70d32dc05d264ffbe03b0c62e54acd5e904c9b7e-dirty"
author bgruening
date Wed, 24 Jun 2020 13:12:05 -0400
parents 0d88631bb7de
children 3b14765c22ee
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--- a/mol2fps.xml	Fri Oct 18 04:57:52 2019 -0400
+++ b/mol2fps.xml	Wed Jun 24 13:12:05 2020 -0400
@@ -1,10 +1,8 @@
-<tool id="ctb_chemfp_mol2fps" name="Molecule to fingerprint" version="1.5">
+<tool id="ctb_chemfp_mol2fps" name="Molecule to fingerprint" version="1.6">
     <description>conversion to several different fingerprint formats</description>
     <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" merge_outputs="outfile"></parallelism-->
     <requirements>
-        <requirement type="package" version="1.5">chemfp</requirement>
-        <requirement type="package" version="2018.09.3">rdkit</requirement>
-        <requirement type="package" version="2.4.1">openbabel</requirement>
+        <requirement type="package" version="1.6">chemfp</requirement>
     </requirements>
     <command>
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