Hi Daniel,
How do I convert the B-factors from my final structure to full B factors if I
did not use TLS refinement?
a non-ccp4 tool:
if you have PHENIX installed then:
1) if your PDB file has TLS matrices in its header and residual
B-factors in ATOM records, then:
phenix.tls model.pdb combine_tls=true
will combine B-factors from TLS part with the residual B-factors from
ATOM records and output a PDB file with total B-factors: Btotal = Btls +
Bresidual.
2) if your PDB file has TLS matrices in its header and total B-factors
in ATOM records, then:
phenix.tls model.pdb extract_tls=true
will extract TLS contribution from the total B-factor and write out a
PDB file with residual B-factors in ATOM record.
Note, phenix.tls will recognize both, REFMAC and phenix.refine
formatting styles of TLS records in PDB file header. For usage
information type: phenix.tls in the command line and hit Return.
I will be happy to answer your questions should you have any.
Good luck!
Pavel.
