[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 09:56:56 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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