Mercurial > repos > bgruening > openbabel_remove_protonation_state

view test-data/CID_2244_FP4.fps @ 1:b40a6733bc83 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
author bgruening
date Sat, 20 May 2017 09:01:24 -0400
parents 0eabdfaef1d1
children
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#FPS1
#num_bits=307
#type=OpenBabel-FP4/1
#software=OpenBabel/2.3.1
#source=CID_2244.sdf
#date=2012-05-15T16:59:22
010000000000000000009800000000004001000000000000000000000000000000000240402801	2244