[phenixbb] maximum allowable B-factor value
Christian Roth
christian.roth at bbz.uni-leipzig.de
Wed Oct 27 11:26:00 PDT 2010
Dear all,
I did a refinement run with a built in ligand. Within the ligand the B-factor
jumps between two connected atoms from 60 up ~110, which is i think a bit too
much. Is there a way to restrain the B-factors that they could not jump so
much. I would accept negative difference density for the atom. Maybe the ligand
is a bit degraded.
Best regards
Christian
@Pavel Tanks for your suggestions with occupancy refinement and B-factors.
--
Christian Roth
Institut für Bioanalytische Chemie
Biotechnologisch-Biomedizinisches Zentrum
Fakultät für Chemie und Mineralogie
Universität Leipzig
Deutscher Platz 5
04103 Leipzig
Telefon: +49 (0)341 97 31316
Fax: +49 (0)341 97 31319
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