[phenixbb] selection of different residue ranges for a NCS group
palencia at embl.fr
Thu Mar 7 10:49:27 PST 2013
I am trying to select different regions of the same protein to be
included in the same NCS group before refinement. This correspond to the
core of a protein.
Additionally, I would define other NCS groups for external domains. I
have 4 protein/RNA complexes in the asu, P1.
Here are the residue ranges for the NCS group corresponding to the core
of the protein (invariant):
Chain A and resseq: 1:156, 188-227, 413:568, 629:794
this should be the reference group, to match the same region in the
other 3 monomers (C, E. G).
Other NCS groups will include the RNA, as well as other external
Chain B and resseq: 1: 87
This is the RNA molecule, that should match the other 3 monomers (D, F,
Chain A resseq: 157:187
this is a external domain, to match the other protein monomer (C, E, G)
and so on.... for other external domain
I have seen that there is the possibility to use user-defined NCS
groups, by using:
* or modifying the GUI by editing the atom selection
For the external domains I think is easy as the syntax is only one
line, however for the core of the protein I do not manage to select
properly the different residue ranges.
Could anybody please help on that? what would be the easiest way to do
that? Can I for example creat a ncs_groups.params file and add it to
phenix.refine in the GUI?
Thanks in advance,
More information about the phenixbb