Yees - after you have accumulated all the geometric (including NCS)
gradients , and all the Xray gradients, they are summed together to
calculate the shifts using the equation w Xray_grad + Geom_grad
Eleanor
(Ps or maybe the other way round..)
Boaz Shaanan wrote:
Hi,
Do I understand correctly the mechanics of REFMAC in that the weight
matrix of X-ray vs. restraints is applied on top of the various tight,
medium and light NCS restraints ?
Thanks,
Boaz
Boaz Shaanan, Ph.D.
Associate Professor
Dept. of Life Sciences
Ben-Gurion University of the Negev
Beer-Sheva 84105
Israel
Phone: 972-8-647-2220 ; Fax: 646-1710
Skype: boaz.shaanan
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