chern at ualberta.ca
Sat Jun 27 10:19:51 PDT 2009
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?
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.
> 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?
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