File: checkfgs.opt

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rdkit 202503.6-4
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# Parameter file for STRUCHK 2.0
# for use with CORDAT
#
ta      StandardFiles/checkfgs.trn       # augmented atom transformations
or                                # create data fields with STRUCHK results
ca      StandardFiles/checkfgs.chk       # table of allowed augmented atoms
cc                                # check for atom collisions
cl      3                         # collision limit is 3% of bond length
cs                                # check stereo conventions
cn      999                       # max number of atoms or bonds
l       struchk.log