# HG changeset patch # User bgruening # Date 1557250601 14400 # Node ID 00263ca6ffb8f1c2af2f8bc9055c3a7ed2686f39 # Parent 44488fa95d1d82860f18b97e7e8bdd4ec9201cdc planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e diff -r 44488fa95d1d -r 00263ca6ffb8 macros.xml --- a/macros.xml Mon Sep 03 16:42:04 2018 -0400 +++ b/macros.xml Tue May 07 13:36:41 2019 -0400 @@ -1,9 +1,10 @@ - 2.4.1 + 2.4.2 openbabel + python @@ -37,6 +38,3 @@ - - - diff -r 44488fa95d1d -r 00263ca6ffb8 remove_protonation_state.xml --- a/remove_protonation_state.xml Mon Sep 03 16:42:04 2018 -0400 +++ b/remove_protonation_state.xml Tue May 07 13:36:41 2019 -0400 @@ -35,6 +35,7 @@ Removes the protonation state of every atom. + ]]> diff -r 44488fa95d1d -r 00263ca6ffb8 test-data/2_mol.dat --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/2_mol.dat Tue May 07 13:36:41 2019 -0400 @@ -0,0 +1,2 @@ +CC(=O)OC1=CC=CC=C1C(=O)[O-] +CC(=O)OC1=CC=CC=C1C(=O)[O-] diff -r 44488fa95d1d -r 00263ca6ffb8 test-data/CO.smarts --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/CO.smarts Tue May 07 13:36:41 2019 -0400 @@ -0,0 +1,1 @@ +CO