On 04/05/12 19:27, Peter Hsu wrote:
Forgive the rather ignorant question, but I'm rather new to using coot/model building and I'm trying to model in a Zn2+ atom but coot doesn't seem to have the files for a Zn atom in its database. I'm not sure where to start looking/how to write a file that defines a Zn2+ atom and to have it properly coordinated by the Cys residues. Can anyone give me any pointers?
Your struggles have little to do with inexperience and a lot to do with Coot being inadequate at handling metals.
You could add user-defined distance restraints - but that is not easy - involving reading deeply buried documentation and writing scripts...
You could add links (for refmac usage) also. What can be done depends on what you want to do... Paul.
