Hall Gareth wrote:
Dear ccp4bb users,
I am currently refining a crystal structure of a protein with a
drug molecule in the active site. The drug molecule is seen, as
expected, to covalently bind to the active site. Therefore, can anyone
tell me what I need to do to alter the pdb file so as to form a covalent
bond between the protein and my drug molecule?
For refmac:
LINK:
http://www.ysbl.york.ac.uk/~garib/refmac/docs/files/coordinates.html#pdb_link
For Coot:
There is nothing you can do (today).
Paul.
