On 6/1/10 10:40 AM, sdh wrote: > 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)
Override the special_restraints method: http://salilab.org/modeller/9v8/manual/node27.html
Ben Webb, Modeller Caretaker