(1) Score pose, (2) move atom, (3) score pose
Submitted by msellers on Fri, 2011-07-15 11:04
from rosetta import *
import sys
init()
pose = Pose()
scorefxn = create_score_function_ws_patch('standard','score12')
pose_from_pdb(pose,'config.pdb')
scorePose = scorefxn(pose)
print scorePose
coord = pose.residue(740).atom('N').xyz()
print coord
coord.x = 100.0
print coord
scorePose = scorefxn(pose)
print scorePose
Returns:
...
core.pack.task: Packer task: initialize from command line()
core.scoring.dunbrack: Dunbrack library took 0.01 seconds to load from binary
-1347.47520146
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