MakeRotLib documentation for Pyrosetta

[Anonymous]

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!

[Anonymous]

Hi,

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

src/protocols/make_rot_lib/RotData.hh
src/protocols/make_rot_lib/MakeRotLib.hh

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/make_rot_lib.cc 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.

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