Dear all,
I am working with a relatively low res. crystal structure with
multiple protomers in the asymmetric unit related by NCS. I am
currently running rounds manual model building in Coot and refinement
using Refmac5. Could anybody suggest a shortcut for the following
procedure: I start with an initial model containing all protomers;
generate NCS operators for A to B, A to C et c.; rebuild protomer A;
use the operators and the rebuilt A to generate all other protomers;
and combine them all in a single pdb file. Currently I do all that
manually using lsqkab and text edit and it is really painful. Is
there an available routine to do this? For various reasons I would
like to stick with Refmac5 rather then CNS, in which of course the
symmetry would have been easier to implement.
Many thanks,
Olga
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- [ccp4bb] NCS and manual building Olga Boudker
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