Mercurial > repos > bgruening > openbabel_remove_protonation_state

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit d9c51279c061a1da948a2582d5b502ca7573adbf
author bgruening
date Thu, 15 Aug 2024 11:00:20 +0000
parents 0eabdfaef1d1
children
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#FPS1
#num_bits=1021
#type=OpenBabel-FP2/1
#software=OpenBabel/2.3.1
#source=CID_2244.sdf
#date=2012-05-15T16:40:38
00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004	2244