Mercurial > repos > bgruening > openbabel_remove_protonation_state

view test-data/CID_2244_FP4.fps @ 9:0bf5331f62ef draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit a889b6ed75666406a95e29d672b58a8fee6e8784"
author bgruening
date Thu, 22 Aug 2019 10:31:29 -0400
parents 0eabdfaef1d1
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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