[phenixbb] refine : a priori TLS tensor eigenvalues

Pavel Afonine pafonine at lbl.gov
Thu Oct 21 08:07:38 PDT 2010

  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.


More information about the phenixbb mailing list