Hi Greg,
If you want manual control over user-defined restraints, which I've found
helpful when dealing with low-resolution structures, ResDe might help. You
can define restraints in PyMol and then save the restraint file in the
refmac format. I hope if helps. Here is the link:
http://pymolwiki.or
Hi Greg,
you can generate secondary structure restraints definitions for Refmac
using this command:
phenix.secondary_structure_restraints model.pdb format=refmac
Pavel.
On 5/5/10 4:33 AM, Gregory Bowman wrote:
Hi -
I am refining a low (3.7Å) structure with refmac(5.5.0091), and am
having
Hi -
I am refining a low (3.7Å) structure with refmac(5.5.0091), and am
having trouble maintaining some secondary structure elements. I would
like to restrain the H-bonding in clear secondary structural
elements, which should help prevent carbonyls in helices from
flipping out, etc, but h
