Changing metal co-factor from PDB file

classic Classic list List threaded Threaded
2 messages Options
Reply | Threaded
Open this post in threaded view
|

Changing metal co-factor from PDB file

John H.
Hello,
    I would like to alter a metal co-factor from a PDB file. The current PDB file of Alcohol Dehydrogense I from S. cerevisiae has a zinc co-factor. Is it possible to edit the zinc to an alternative metal in Abalone?

Thanks,
John Hoskins
Reply | Threaded
Open this post in threaded view
|

Re: Changing metal co-factor from PDB file

Alexei
Editing in Abalone set the parameters of a new metal by default. So I recommend to do it manually in files by setting the correct molecular-mechanical type of atom and parameters of the force field.