[phenixbb] PDB deposition of tls refined structure
rj at uoguelph.ca
Tue Oct 30 07:15:04 PDT 2007
Dear phenix users,
I am about to deposit a 2.5A structure at the PDB. The structure has
been refined using phenix.refine with strategy=tls+individual_sites
+individual_adp, which actually works very well but (because of the
tls refinement) also results in the output of ANISOU records for the
atoms in the PDB file. When using PDB_extract during the PDB
submission process the ANISOU record is picked up as regular
anisotropic refinement although the resolution is too low for that.
Should I just accept it and leave it as it is or should I correct the
info in the Auto Dep Input Tool (ADIT) to isotropic with just the
regular b-factor values?
Thanks in advance,
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