Mercurial > repos > bgruening > openbabel_remduplicates
view test-data/CID_2244_FP3.fps @ 4:6eedb6c3cfdf draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c84729ec58f7f52d594066158afed175208d3d66
author | bgruening |
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date | Wed, 24 May 2017 10:03:13 -0400 |
parents | 75d6c2b7907a |
children |
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#FPS1 #num_bits=55 #type=OpenBabel-FP3/1 #software=OpenBabel/2.3.1 #source=CID_2244.sdf #date=2012-05-15T16:59:15 0400000c50b007 2244