# HG changeset patch # User bgruening # Date 1595940477 14400 # Node ID 55ac04db36aa3d43204303eb538714cc6e712cc4 # Parent d4c67ced6abc0a4613e45343d4a18802cc90d258 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0" diff -r d4c67ced6abc -r 55ac04db36aa sucos_macros.xml --- a/sucos_macros.xml Wed Apr 15 09:26:07 2020 -0400 +++ b/sucos_macros.xml Tue Jul 28 08:47:57 2020 -0400 @@ -1,4 +1,5 @@ + 2020.03.4 10.26434/chemrxiv.8100203.v1 @@ -12,7 +13,7 @@ - rdkit + rdkit diff -r d4c67ced6abc -r 55ac04db36aa sucos_max.xml --- a/sucos_max.xml Wed Apr 15 09:26:07 2020 -0400 +++ b/sucos_max.xml Tue Jul 28 08:47:57 2020 -0400 @@ -1,7 +1,8 @@ - + - determine maximum SuCOS score of ligands against clustered fragment hits sucos_macros.xml + 0 - +