I am working in the development of a program that I need the possible rotameros (of one the 5 possible rotamers) for a set of amino acids and I would like to know as chimera can make this using the command line. Debtor, Ricardo
Hi Ricardo, I can only repeat the previous reply -- it covers what Chimera can do and where you can get more information: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/2011-February/005966.html> Elaine On Feb 2, 2011, at 7:37 AM, Ricardo Silva wrote:
I am working in the development of a program that I need the possible rotameros (of one the 5 possible rotamers) for a set of amino acids and I would like to know as chimera can make this using the command line.
Debtor, Ricardo
On Feb 2, 2011, at 7:37 AM, Ricardo Silva wrote:
I am working in the development of a program that I need the possible rotameros (of one the 5 possible rotamers) for a set of amino acids and I would like to know as chimera can make this using the command line.
The brief answer is that no, it is not doable from the command line unless all you want is the highest-probability rotamer (and if that's the case read the links that Elaine sent for how to do that). It is possible using the GUI. It is also possible using Python code (almost anything is). If you know how to program Python, look at the useRotamer() function in Rotamers/__init__.py [in the Chimera distribution] to get started. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu
participants (3)
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Elaine Meng -
Eric Pettersen -
Ricardo Silva