Remember that phi-psi angels are excellent for validation purposes,
but only when they are unrestrained, so if you restrain them you
lose this option.
The above is a very important point!
Having now said that, restraining alpha-helices hydrogen bonding, and
beta-sheet cross-strand hydrogen bonds, can be done in REFMAC, Phenix
and CNS (its documented for all of them). This seems to be easier to
do and helpful, but has to be done with care - like everything in low
resolution refinement.
A.
Hope this helps.
-Bjørn
--
Bjørn Pañella Pedersen
Ph.D Student, MSc
Department of Molecular Biology Office: +45 89425021
University of Aarhus Lab: +45 89425010
Gustav Wieds Vej 10c Email: [EMAIL PROTECTED]
DK-8000 Aarhus C Lab WWW: http://www.bioxray.dk
Denmark
Mario Milani wrote:
Hi,
it could be really useful in refining low resolution structure
(with poor electron density map) to have a refinement program that
can restrain phi and psi angles to follow Ramachandran plot. Does
anyone know if such program exist?
Thank you,
mario
Mario Milani, PhD
University of Milan
Dep. of Biomol. Science and Biotech.
Via Celoria 26, 20133 Milan, Italy
T. +39 0250314892-4
F. +39 0250314895
http://digilander.libero.it/mario.milani/
http://users.unimi.it/biolstru/Home.html
