Well - I usually use the COOT ncs map generation first.
You place waters into good peaks in the 3 fold averaged map -say it is A
B C - check that there are reasonable peaks in the other rotated maps -
then once the waters are generated for A, fit those coordinates A to B
and save them, then A t
Dear Dale,
concerning the first part of your request you can use BUSTER and
include your water molecules in ncs restraints.
Here is the link for the wiki explaining that
http://www.globalphasing.com/buster/wiki/index.cgi?AutoBusterExample4chawaterNCS
HTH
All the best
David
Le 15 nov. 10 à 21:4
Hi
I'm refining my first structure with a significant amount
of ncs and am not looking forward to my usual, manual, editing
of the water model. Could someone point me in the direction of
a program that will encourage my water to obey the ncs?
What I have in mind is to, first, find each clus
