Mercurial > repos > bgruening > openbabel_spectrophore_search
view test-data/CID_2244_FP3.fps @ 10:3d91d24e89c5 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
author | bgruening |
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date | Wed, 25 Mar 2020 16:43:26 -0400 |
parents | 7133973beaf0 |
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