[phenixbb] Group ADP syntax question

[Pavel Afonine]

Hi Peter,

> 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),

or

- refine two isotropic Bs per residue (one for side and one for main 
chains),

or

- 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).

Pavel.