Mercurial > repos > bgruening > prepare_ligands_for_docking

diff test-data/na-sal_obrmions.inchi @ 5:a5f4b80e6769 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 1fe240ef0064a1a4a66d9be1ccace53824280b75"
author bgruening
date Mon, 19 Oct 2020 14:48:46 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/na-sal_obrmions.inchi	Mon Oct 19 14:48:46 2020 +0000
@@ -0,0 +1,1 @@
+InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1