Segmentation fault (core dumped) while using EMapVector

[oroscow]

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:

from pyrosetta import *
from pyrosetta.toolbox import pose_from_rcsb
from pyrosetta.rosetta.core.scoring import EMapVector

if __name__ == "__main__":
    init()
    pose = pose_from_rcsb('1UBQ')
    sfxn = get_score_function(True)
    res2 = pose.residue(2)
    res5 = pose.residue(5)
    emap = EMapVector()
    sfxn.eval_ci_2b(res2, res5, pose, emap)

Any and all help is appreciated, cheers.

[lyskov]

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)

[oroscow]

Thanks so much!