On 25/10/10 11:19, Phil Evans wrote:
Is there a way in coot to use the auto-detected NCS operator (eg from chain A to B) to
transform a copy of another chain (eg chain C to D)? This arises where I have a AB dimer,
and buccaneer has built additional chains C& D (different from A& B) such that
the D chain is correct and the C chains isn't, so I want to apply the B->A
transformation to chain D to make a correct chain C
I can of course do it outside coot, but I wonder if it's possible internally
(For the record now...)
Perhaps the ncs-ligand function is what you want. This was designed to
create an NCS copy of a ligand (or range of residues) in the active site
of one chain to the as yet unoccupied active site of another, i.e. it
makes a NCS ligand D1 that is a NCS copy of ligand C1 using an NCS
operator that maps protein chain A onto chain B.
Paul.
