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hi Pavel, I made all restraint_groups in my parameter file. It's just too many of them. I thought that may be there is an option to say exclude residues 125, 248 etc. By the way, I have excessive_distance_limit = None. If I change it to some number, how does it work? the violating residues will be excluded or the whole molecule will? Maia Pavel Afonine wrote:
Hi Maia,
you can easily do it by editing your parameter file:
- change NCS group selections the way you want; - make sure that "main.ncs = True" and "ncs.find_automatically = False"
If you have any problem with this: send me the parameters file and tell which residues you want to exclude and I can edit it, so you have an example for future reference.
Pavel.
On 6/27/09 9:12 AM, Maia Cherney wrote:
Hi Pavel, could you please tell me how to exclude several residues from ncs refinement. Should I make several restraint_groups or I can just give what to exclude?
Maia _______________________________________________ phenixbb mailing list phenixbb@phenix-online.org http://www.phenix-online.org/mailman/listinfo/phenixbb
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