I would guess that it would be easier to restrain a helix by hydrogen
bond lengths rather than by phi/psi torsion angles, and that could
work for sheets as well.
Phil
On 8 Jan 2009, at 19:05, Garib Murshudov wrote:
If top/par file could be converted to the following type of
instructions
If top/par file could be converted to the following type of
instructions then you do not need to define everything in cif file
(these are for torsion angles, all other restraints can be defined
similarly)
General torsion angle restraints for any quartet of atoms:
external torsion first cha
Hi Phil,
sorry, haven't read you question properly. No idea how to get easily
from top/par to cif for refmac.
Probably would need a little scripting, but that's been exactly your
question ...
Eckhard
XPLO2D from the USF-Suite does this:
You feed it a PDB file of the model to which you
