Hi All,

I was wondering if there was a faster way to replace all coordinates.  I've used commands such as iterate_state and alter_state before but they are far too slow since they have to iterate over each atom.  Instead, I want to replace one set of coordinates that correspond to a specific state with a different set.  Here's what I have to work with:

I have a list that contains x, y, z coordinates.  Of course, this list can be manipulated and/or separated if necessary.  I'm assuming that the coordinates for a specific state are stored somewhere in memory and I would basically like to replace one set of coordinates with the other.  I would think that something like "pointers or references" would work a lot faster than having to copy the coordinates over (which is typically slow and is likely what alter_state is doing?). In addition, I am dealing with 100+ states using alter_state for each state would be far too slow.

Any suggestions would be greatly appreciated.

Thanks in advance!

Sean


Save up to 84% on Windows 7 until Jan 3-eligible CDN College or University students only. Hurry-buy it now for $39.99!