[chimera-dev] How to use "getRotamers" function?

ylei at ecs.umass.edu ylei at ecs.umass.edu
Mon Jul 20 22:37:26 PDT 2009

Hi all

I'm trying to get the rotamers for the given residue along the  
backbone using Dunbrack Backbone Dependent Library. So far, I want to  
use getRotamers function. But when running this command in the python  
shell, I got this error "No module named Dunbrack". I don't know if  
there is a module "Dunbrack" which I should import first.

Moreover, besides getRotamers, there are several other functions, e.g.  
getRotamerParams, extractResInfo, useRotamer, RotamerLibraryInfo,  
registerLibrary, useBestRotamers, etc and a class called RotamerParams  
in the same file. I also found there are two associated functions in  
the Dunbrack folder, say, dependentRotamerParams and  
independentRotamerParams, which are used in the above functions.

Can someone help me distinguish these functions? Which one will be  
useful if I need a full set of rotamers for certain purpose (i.e.  
side-chain structure prediction) given the backbone?

Thanks in advance. Sorry for disturbing others.



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