On Tue, 2010-06-01 at 10:32 -0700, Modeller Caretaker wrote:
On 5/31/10 8:25 AM, sdh wrote:
I want to create a model based on two templates. How can I constraint
few selected positions, so they would preserve (if possible) side-chain
conformation of one of the templates?
Modeller doesn't really work this way for sidechains, particularly when
you have multiple templates. The restraints don't act to make the
sidechains look like the templates, merely to keep them in an
appropriate class (energy well). But if you want to keep a certain
sidechain in a certain conformation, you can add your own restraints to
do that.
Thank you for the answer. Could you tell me which functions should I
use? (function names will be enough, I just want to know where to start)