[phenixbb] More problems with HEM.cif?
Yarrow Madrona
amadrona at uci.edu
Thu Jun 19 12:11:06 PDT 2014
Hello,
The HEM.cif in $Phenix/chem_data/mon_lib
has ideal angles of 1.337 for single bonds on the vinyl groups.
HEM CAC CBC coval 1.337 0.02
HEM CAB CBB coval 1.337 0.02
As far as I know these are single bonds and the ideal bond angles should be
around 1.5.
-Yarrow
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