[phenixbb] Fwd: Generate difference electron density maps for residues with multiple conformations

[Pavel Afonine]

Geometry restraints do not care about occupancies.
Pavel

On 2/18/16 11:30, Alejandro Virrueta wrote:
> 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 
> <mailto: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 file?
>
>
>     No. They will be always visible to geometry restraints.
>
>     Pavel
>
>
>

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