[phenixbb] Group ADP syntax question
PAfonine at lbl.gov
Mon Apr 12 14:22:01 PDT 2010
> Is it possible to have One B-factor per residue for one part of the
> structure and for other parts to use One isotropic B per selected
> group of atoms.
> For example to have one B-factor for the entire chain A and have One
> B-factor per each residue in chain B ?
no, currently it is global, sorry. You can:
- refine one isotropic B per residue for all residues (each water or
ligand are treated as one residue),
- refine two isotropic Bs per residue (one for side and one for main
- refine one isotropic B per selected set of atoms.
You can't mix the above options. It's in my to-do list to make it
possible (at least two people asked about this before).
More information about the phenixbb