Reply To: Creating a vector1 of AtomID objects

Thanks.

When I use the method pose.conformation().set_xyz(AtomID(),xyzVector) on 10,000 atoms, it takes about 60seconds. There are a few other method calls besides setting the internal and xyz coordinates. So, I am trying to use .batch_set_xyz() and that requires two vector1’s.

Since that isn’t working right now, I will try and set the external and internal coords manually. Hopefuly that doesn’t break anything.