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you will need to score with given score function first, ie something like this should work: from pyrosetta import *
from pyrosetta.toolbox import pose_from_rcsb
from pyrosetta.rosetta.core.scoring import EMapVector
init()
pose = pose_from_rcsb('1UBQ')
sfxn = get_score_function(True)
sfxn(pose)
res2 = pose.residue(2)
res5 = pose.residue(5)
emap = EMapVector()
sfxn.eval_ci_2b(res2, res5, pose, emap) |
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New to Rosetta and PyRosetta, just following some tutorials online to get a handle on things. Unsure why the following code doesn't work without throwing a segfault every time:
Any and all help is appreciated, cheers.
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