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)
Best wishes, Staszek