Dunbrack Library

[Anonymous]

Hi All;

I’m trying to import a new Dunbrack library into PyRosetta.
I’ve found the RotamerLibrary class in core.pack.dunbrack._dunbrack_all_at_once and a method create_fa_dunbrack_libraries(), but I am unsure how to call it or setup an instance. Can anyone help? Thanks.

-Jared

[Anonymous]

Hi Jared,

If you want to hack it in to place, you should be able to just rename the files and move them into the correct place in the minirosetta_database. I am assuming that you are interested in using the 2010 library, which is in the same format as the 2008 library. If that’s the case, just moving the files into place and calling rosetta.init() should do the trick.

[Anonymous]

Hey Brian,

I was interested in being able to load different libraries on the fly, but your suggestion should work fine. Thanks for the help.

-Jared

[Anonymous]

You can use the relevant flags from the options system. The options you want to set are “score:dun08” and “score:dun08_dir” Check out http://www.rosettacommons.org/content/how-set-options-under-pyrosetta

[Author]

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