def exercise_nqh_minimize():
open('modelFH.pdb', 'w').write(pdb_str_1)
args = ['modelFH.pdb', 'modelFH_reg.pdb', '.']
nqh_minimize.run(args)
v1 = run_validation('modelFH.pdb', ignore_hd=True)
v2 = run_validation('modelFH_reg.pdb', ignore_hd=True)
assert v1.bonds.n_outliers == 3
assert v2.bonds.n_outliers == 0
def exercise_nqh_minimize():
open('modelFH.pdb', 'w').write(pdb_str_1)
args = ['modelFH.pdb', 'modelFH_reg.pdb', '.']
nqh_minimize.run(args)
v1 = run_validation('modelFH.pdb', ignore_hd=True)
v2 = run_validation('modelFH_reg.pdb', ignore_hd=True)
assert v1.bonds.n_outliers == 3
assert v2.bonds.n_outliers == 0
from __future__ import absolute_import, division, print_function
import sys
from mmtbx.validation.molprobity import nqh_minimize
if __name__ == "__main__":
nqh_minimize.run(sys.argv[1:])
from __future__ import division import sys from mmtbx.validation.molprobity import nqh_minimize if __name__ == "__main__": nqh_minimize.run(sys.argv[1:])
