Reply To: read parameters of metal ions

[Anonymous]

The problem of reading metal ions was coming from the spacing in the PDB file. The same problem was already posted in http://www.rosettacommons.org/content/some-application-troubles-when-using-resfile-flag

Here is a sample script and a test pdbfile with correct spacing:

from rosetta import *
init()
params_list=Vector1()
res_set = generate_nonstandard_residue_set(params_list)
p=Pose()
pose_from_pdb(p, "test.pdb")