[phenixbb] Fwd: Generate difference electron density maps for residues with multiple conformations
alejandro.virrueta at yale.edu
Thu Feb 18 11:30:49 PST 2016
So why are geometry restraints imposed on multiple conformers but not a
single conformation, with both having atoms set to 0 occupancy?
On Thu, Feb 18, 2016 at 2:09 PM, Pavel Afonine <pafonine at lbl.gov> wrote:
> Hi Alejandro,
> I just tried phenix.maps, and it yields substantially different difference
>> maps than those obtained through my refinement process.
> not surprising at all because phenix.refine changes the model and
> phenix.maps uses input model as is to compute maps!
> Are there any other techniques or parameters I can modify to make residues
>> with multiple conformations 'invisible' to phenix.refine, in
>> addition/besides set occupancies to 0 or deleting the residue form the pdb
> No. They will be always visible to geometry restraints.
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