Hi all and Pavel !! I asked this question more of academic interest than for any particular purpose. Thanks a lot. regards John On 8/1/07, Paul D. Adams wrote:

Hi John,

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.

Cheers Paul

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.

regards John _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb

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Hi Pavel, My indexing routine found a few typos; I think these are coming from all the nice new phenix.refine documentation that you have added! A few may also be from other places, including xtriage. All the best, -Tom T actualy anirotropic anomaluos anomaluous ansiotropic anylysis assignement cartesisan comparisions componet comprihensive cutted developper diviations documnetation fourrier friquently gradially groupped lenghts maipulations manipulatons negligeable presenrted refineemnt refinemet reifne responsability restarints stattistics unchanched

Hi Tom, thanks for findings! I will check for this. I also hope someone (native speaker) reads it before the release to make sure it's actually written in English and not in "Russian English" -:)

ispell rocks!