Mercurial > repos > bgruening > confab

diff test-data/confab_on_CID_3033.sdf @ 26:b0a28a5fd431 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/confab commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
author bgruening
date Sat, 20 May 2017 08:31:30 -0400
parents e8462e1fb27e
children
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--- a/test-data/confab_on_CID_3033.sdf	Tue May 31 11:44:52 2016 -0400
+++ b/test-data/confab_on_CID_3033.sdf	Sat May 20 08:31:30 2017 -0400
@@ -1,5 +1,5 @@
-214.7
- OpenBabel06291213403D
+3033
+ OpenBabel05191717063D
 
  30 31  0  0  0  0  0  0  0  0999 V2000
     1.9541    1.1500   -2.5078 Cl  0  0  0  0  0  0  0  0  0  0  0  0