21 Oct
2010
21 Oct
'10
1:07 p.m.
Hi Bryan,
[ phenix 1.6.4-486 ]
i gather that phenix.refine will not take a priori refined TLS tensor eigenvalues - either from input or from the pdb header. is this right?
phenix.refine does not use TLS information from PDB file header, simply because in general phenix.refine "does not trust things" under REMARK records (there are good reasons for this, which I will not mention now since it is not a subject of this conversations). Only phenix.model_vs_data and phenix.tls uses this information. phenix.refine has powerful algorithms to recompute TLS parameters from just model and data files, and user provided selections for TLS groups. Pavel.