[phenixbb] NCS, TLS and anisotropic b-factors
mortengroftehauge.work at gmail.com
Tue May 8 03:34:42 PDT 2012
Just one more stupid question:
On the phenix website it says under *current limitations of
phenix.refine*"Atoms with anisotropic ADP in NCS groups". I take this
to mean that
phenix.refine doesn't handle the combination of TLS and NCS well, is this
So what is the correct way of handling TLS and NCS?
Do one run where individual, isotropic ADP+xyz and NCS are refined and then
another where individual, isotropic ADP+xyz and TLS are refined?
Or one run where individual, isotropic ADP+xyz and NCS are refined and then
another where individual, isotropic ADP and TLS are refined?
Or does the issues go away if you only use torsional NCS?
Or adjusting the B-factor weight of NCS selections? Should B-factor weight
then be set up or down?
Okay, that was more than one question but at least they're all on the same
Morten K Grøftehauge, PhD
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