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MakeRotLib documentation for Pyrosetta

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MakeRotLib documentation for Pyrosetta

Hey everyone, I am trying to incorporate l-ncaa 5-hydroxytryptophan into a protein and I am currently stuck on making the rotamer library for it. I have made a make rot lib options file (attached). I am wondering what the next step is. There is a tutorial for the Make_Rot_Lib protocol in c++ but I was wondering what the pyrosetta protocol equivalent was. Thanks!

B36_rot_lib_options_XXX_YYY.txt340 bytes
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Sat, 2013-07-06 16:15


It looks like most of the code for making the rotamer library is in the RotData class and the MakeRotLib collection of functions.


I am, however, having trouble importing them into PyRosetta.

If you download Rosetta C++, and take a look at the file, rosetta_source/src/apps/public/ you could theoretically reproduce most of this in Python if you could get the imports to work.
For simplicity, though, I would just use compile Rosetta C++ and use the full compiled executable, make_rot_lib.

Sun, 2013-07-07 17:50