Hi all and Pavel !!<br><br> I asked this question more of academic interest than for any particular purpose. Thanks a lot.<br><br>regards<br>John<br><br><div><span class="gmail_quote">On 8/1/07, <b class="gmail_sendername">
Paul D. Adams</b> <<a href="mailto:PDAdams@lbl.gov">PDAdams@lbl.gov</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi John,<br><br> no. This was done many years ago in XPLOR, but programs such as<br>phenix.refine, CNS and refmac do not use charges. Their inclusion<br>tends to generate problems (incorrectly placed residues being<br>strongly attracted to one another). In the future we hope to
<br>investigate methods to use charges towards the end of refinement.<br><br> Cheers<br> Paul<br><br>On Aug 1, 2007, at 10:11 AM, john kryst wrote:<br><br>> Hi all !!<br>><br>> Please bare with me.. one general very basic question.
<br>> Do we use electrostatic charges in x-ray refinement.<br>><br>> regards<br>> John<br>> _______________________________________________<br>> phenixbb mailing list<br>> <a href="mailto:phenixbb@phenix-online.org">
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