[phenixbb] will phenix.fmodel automatically generates and takes into account the TLS B by reading the TLS REMARK from pdb?

Pavel Afonine pafonine at lbl.gov
Tue Sep 7 09:55:43 PDT 2010


  Hi Hailiang,

> For the pdb file generated by refmac which contains only the residual-B,
> will phenix.fmodel automatically generates and takes into account the TLS
> B by reading the TLS REMARK from pdb? Thanks a lot!

phenix.tls

is the tool to convert between total and residual ADPs. It can recognize 
Refmac and phenix.refine formats of TLS records.

phenix.model_vs_data does this internally to compute correct R-factors 
and ADP statistics.

phenix.fmodel takes the PDB file as is, so it is your responsibility to 
provide the correct input B-factors.

Pavel.




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