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
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