[phenixbb] General Question !!!
Paul D. Adams
PDAdams at lbl.gov
Wed Aug 1 10:17:15 PDT 2007
no. This was done many years ago in XPLOR, but programs such as
phenix.refine, CNS and refmac do not use charges. Their inclusion
tends to generate problems (incorrectly placed residues being
strongly attracted to one another). In the future we hope to
investigate methods to use charges towards the end of refinement.
On Aug 1, 2007, at 10:11 AM, john kryst wrote:
> Hi all !!
> Please bare with me.. one general very basic question.
> Do we use electrostatic charges in x-ray refinement.
> phenixbb mailing list
> phenixbb at phenix-online.org
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