[phenixbb] Multiple conformations

Pavel Afonine pafonine at lbl.gov
Thu Feb 25 08:29:12 PST 2016

Hi Alex,

> This is not exactly phenix specific, but I was wondering what are some 
> commonly used methods to determine and validate the 
> presence/occurrence of multiple conformations for a given amino acid?

I just realized it myself yesterday that most efficient (in terms of 
finding answer) way is to use new Phenix tool called phenix.polder (a 
new tool being developed in our team in order to better visualize weak 
densities in residual Fo-Fc maps), which is available in latest nightly 
build. Example:

phenix.polder model.pdb data.mtz selection="chain A and resseq 123"

where "chain A and resseq 123" selects residue in question (this assumes 
you have placed one copy of residue conformer).


More information about the phenixbb mailing list