Re: [phenixbb] real space refinement

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. More details: http://phenix-online.org/presentations/latest/pavel_refinement_general.pdf pages 37-40. Pavel On 7/28/14, 12:17 PM, Nathaniel Echols wrote:

On Mon, Jul 28, 2014 at 12:12 PM, Tim Gruene mailto:[email protected]> wrote:

- - Michael Chapman's RSRef (http://www.sb.fsu.edu/~rsref/Distribution/software_distribution.htm http://www.sb.fsu.edu/%7Ersref/Distribution/software_distribution.htm)

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?

-Nat

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