Unsolved

Hi,

I was wondering if anyone has any experience using the pocket constraint in PyRosetta. There doesn't appear to be much documentation and all of my attempts have yielded the error "ERROR ! ! Invalid residue to backrub around" after running the following code:

from pyrosetta import *
init()

from pyrosetta.rosetta.core.scoring import *

pose = pose_from_pdb('core_0001.pdb')

scorefxn = create_score_function('ref2015')
scorefxn.set_weight(pocket_constraint, 1.0)

I am using FastRelax from PyRosetta. When I run it from PyRosetta, the number of rotamers built are way more than the number of rotamers when I run it with C++ relax binary. For instance: I use the following to relax a pdb with movemap in PyRosetta as follows:

def relax_pdb_with_movemap(self, pose, movemap):
        relax = FastRelax()
        relax.set_scorefxn(get_fa_scorefxn())
        relax.set_movemap(movemap)
        relax.apply(pose)
        return pose

In C++ I give the following command:

Hello developers,

Just letting you know that there is a new python version (3.7) released and PyRosetta does not work in it. I use Arch based linux so I discover these things very early, just want to send you a notification here incase you feel you need to provide PyRosetta in python 3.7

I hope this helps.

hello

i want to predict denovo structure of a protein but at last step i get this error

opt/rosetta_src_2018.09.60072_bundle/main/source/bin/minirosetta.default.linuxgccrelease: error while loading shared libraries: libsqlite3.so: cannot open shared object file: No such file or directory

should i download libreries ? because i installed just rosetta with no library  please help me