[phenixbb] Phenix TLS refined model feeding into next round of refinement

Daqi Tu daqi.tu at gmail.com
Wed Jul 20 06:39:30 PDT 2011


I used to think after one round of Phenix TLS refinement, if I need to 
do further refinements after correcting couple residues, I need to take 
out the ANISOU records from the pdb file. The reason is if not, all 
protein atoms might be applied anisotropic individual B factor 
refinement in the next round. Yesterday, I made a "mistake" directly 
feeding the pdb file from the previous TLS refinement into the next one. 
Seems it is fine. Is that true Phenix automatically recognize what I 
wanted, that is, TLS only, not anisotropic individual B factor refinement?

Thank you.

Daqi Tu

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