As a matter of interest, why do you have to do this? Why doesn't coot
know the Zn is there, it's in the PDB file? Isn't this a bug? : -)
Phil
On 13 May 2009, at 23:45, Paul Emsley wrote:
Moritz Metlitzky wrote:
Hi everybody, i just installed coot and played around a bit with my
structure and the Fit Protein command. Now to my question, i have a
zinc
atom in my structure coordinated by 3 cysteines. it refines pretty
well, but
when i do Fit Protein Coot always links the 3 cys directly in the
zinc
density, so it seems it doesn't know that a zinc is there. it is
displayed
as zinc and everything but it doesn't assign density to it.
The trick in such a case is to change the map to which you are
fitting.
You should mask out the Zincs in the map. (It should be possible do
select by element but how to do that escapes me for the moment (it
is an mmdb atom selection string)). So probably fastest to do it by
residue number: //B/23-25 or so.
Then used the masked map as the refinement map of course.
Paul
