On 18/11/13 13:26, Felix Frolow wrote:
I have a very large complex of proteins and I would like to use COOT
to apply NCS edits in the case where the “master copy” is not chain A
of my complex but any given chain.
The script that I currently use (example only, actual number of
molecules is much larger)
(copy-residue-range-from-ncs-master-to-chains 0 "A" 1 500 (list "B"
"C" "D" "E"))
works only for A but for this I need to temporarily rename molecules,
making any molecule I wish to be "master" also to be "A".
It is O.K. to do this renaming once or twice, but not convenient if
the extensive rebuilding of the complex is considered.
I see what you mean. Yes, this is awkward.
*Q1. Is there currently a possibility to use a different chain as the
master for the NCS edits in COOT? *
*No. It is an oversight. Sorry.
*
*Q2. If so, could someone please let me know how? *
*- *
*Q3. If not, would it be possible to program this into Coot for the
future for complicated cases? *
*Yes, indeed. This bug/problem/oversight needs to be fixed. Ihave made
a note.
*
*Q4. Is there another option, not COOT?*
*I think that something in Phenix can do it.
*
*Paul.
*
