[phenixbb] real space refinement
pafonine at lbl.gov
Mon Jul 28 09:39:56 PDT 2014
It is unique in a sense that it is closest to Bob Diamond's original
work (197?), and also it uses LS=SUM(rho_obs-rho_calc)**2, where
rho_calc is resolution truncated analytical density function originally
developed by Michael Chapman and published I guess in 1995.
On 7/28/14, 12:17 PM, Nathaniel Echols wrote:
> On Mon, Jul 28, 2014 at 12:12 PM, Tim Gruene <tg at shelx.uni-ac.gwdg.de
> <mailto:tg at shelx.uni-ac.gwdg.de>> wrote:
> - - Michael Chapman's RSRef
> Argh, forgot to mention this! That's probably the closest analogue,
> although I don't think it does local refinement (i.e. sidechain
> fitting), does it?
> phenixbb mailing list
> phenixbb at phenix-online.org
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