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19 Jun
2014
19 Jun
'14
7:11 p.m.
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