# HG changeset patch # User bgruening # Date 1595940515 14400 # Node ID fe318c64850259ad7a32c0f232769e8fa89fa54a # Parent a574f6e8b909c906b7d829b06aebc4104dca108e "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0" diff -r a574f6e8b909 -r fe318c648502 sucos.xml --- a/sucos.xml Wed Apr 15 09:27:14 2020 -0400 +++ b/sucos.xml Tue Jul 28 08:48:35 2020 -0400 @@ -1,7 +1,8 @@ - + - compare shape and feature overlap of docked ligand poses to a reference molecule sucos_macros.xml + 0 + 2020.03.4 10.26434/chemrxiv.8100203.v1 @@ -12,7 +13,7 @@ - rdkit + rdkit