Olga Boudker wrote:
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
Coot has tools to do this..
Fit your rebuilt A chain back over B C etc, change the chain ID
appropriately and write it out.
You need to reassemble the whole agin but it does the standard
superpositions..
Eleanor
