Reply To: Creating a vector1 of AtomID objects

[Anonymous]

Using:

pycoord = pose.residue(_residueNumber).xyz(_atomSpecies)
pycoord.x = 1.0
pycoord.y = 1.0
pycoord.z = 1.0
idx = pose.residue(_residueNumber).atom_index(_atomSpecies)
id = AtomID(idx,_residueNumber)
pose.atom_tree().set_xyz(id,pycoord)


takes about 0.4-0.6 seconds for all atoms. Not that I want to move them all to 1 1 1, but you get the idea.