Dear all,
I have recently upgraded to the newest PyRosetta version (156) because my machine was upgraded to Unbuntu Artful, that uses Python 3.6 (and 144 was compiled for 3.5).
My packing script worked fine in the previous PyRosetta version I used (144) but now fails on rosetta.core.pack.pack_rotamers_setup with the following message.
ig = rosetta.core.pack.pack_rotamers_setup(pose, score_fxn, task_design, rotsets)
RuntimeError: Tried to call pure virtual function "FixbbRotamerSets::rotamer_set_for_moltenresidue"
This happens in the following context:
task_design = rosetta.core.pack.task.TaskFactory.create_packer_task(pose)
task_design.initialize_from_command_line()
rosetta.core.pack.task.parse_resfile(pose, task_design, resfile)
pose.update_residue_neighbors()
rotsets = rosetta.core.pack.rotamer_set.RotamerSets()
rosetta.core.pack.pack_scorefxn_pose_handshake(pose, score_fxn)
ig = rosetta.core.pack.pack_rotamers_setup(pose, score_fxn, task_design, rotsets)
I'm trying to understand, but if there is an obvious cure. I'm happy to get it.
Thomas