Engin Ozkan wrote:
Hi everyone,
I am sure this exists somewhere through scripting in COOT, but can I
apply NCS edits to only a subset of NCS copies? In other words, can I
tell coot which are NCS related chains, and which aren't. I am working
on this nightmarish case of asymmetrical homodimers, where the sequences
are very similar, but the structures are not, so I need to tell coot
which chains are actually related to each other.
Nightmare.
If you have a recent [1] Coot, you can do this.
(manual-ncs-ghosts imol resno-start resno-end chain-id-list)
where imol is 0 (say)
resno-start and resno-end is the residue range for the LSQ fitting to
return the NCS matrix,
chain-id-list is the list of chain-ids, starting with the
master/reference chain-id and followed by the peer chain-ids that are
NCS related, e.g. (list "A" "B" "D")
The python interface is similar.
Paul.
[1] 1632 or later for the scheme version, 1646 for the python version
