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Coot: Difference between revisions
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=Assorted questions and answers (from the mailinglist)= | |||
Q: | |||
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. | |||
A: Nightmare. If you have a recent [1632 or later for the scheme version, 1646 for the python version] 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. | |||