Unsolved

All,

I am getting large energy increases when repacking a protein using v2.0 of PyRosetta.ScientificLinux64bit (I'm running RHEL5.5_64, Python 2.66)

1st issue On init(), I recieve:


basic.io.database: Database file opened: .../minirosetta_database/Rama_smooth_dyn.dat_ss_6.4
core.chemical.ResidueTypeSet: Finished initializing fa_standard residue type set. Created 7533 residue types
core.pack.task: Packer task: initialize from command line()
Warning: Unable to locate database file Dunbrack02.lib.bin

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

I am considering various conformations of a given protein and I should compare their corresponding energy values. I have used Pyrosetta to compute the energies using the "scorefxn = create_score_function('standard')" command. I was under the impression that the PDB structure of a protein should have the minimum energy.

Hi around, sorry for disturbing with my problem that I haven't found posted or solved and if it has been solved I didn't find it. I recently downloaded PyRosetta and would like to use it for docking. The easiest, I thought, is to take an example script that comes with PyRosetta - docking.py, taking the test_dock.pdb that also comes with PyRsoetta and run it to get an idea about computational time. But it doesn't work by writing:
=========
docking.py in ()
15 print "setting up docking fold tree"