Yes there is a way to do something anyway.
Is your metal only linked to protein or are there extra atoms as part of
the metal?
If there is protein lins you need to make a LINK record in your PDB and
provide a dictionary description of your expected geometry.
If you have more details I can b
rd [mailto:[EMAIL PROTECTED] On Behalf Of
James Pauff
Sent: Wednesday, July 11, 2007 9:10 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Metal-ligand(s) positioning following refinement...
Good day all,
I have a metal center in my enzyme active site, in a
roughly square pyramidal coordination. I
Good day all,
I have a metal center in my enzyme active site, in a
roughly square pyramidal coordination. I know from
EXAFS and other work how this coordination sphere
should look, but following REFMAC the cofactor here
does not end up realistically coordinated/oriented.
Although it is in the de
