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

Pavel Afonine pafonine at lbl.gov
Thu Feb 18 11:09:44 PST 2016

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.


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