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

[Alejandro Virrueta]

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
>> file?
>>
>
> No. They will be always visible to geometry restraints.
>
> Pavel
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20160218/6bd7f7d9/attachment.htm>