Hi,
I'd like to transform a set of 3D molecules so that their principle moments of inertia are all aligned (i.e. longest to X, shortest to Z). Although there are several PP components that calculate PMI-related properties on-the-fly, I actually wish to transform the molecular co-ordinates as well. I don't have access to the Materials Studio functions, so I was looking for something in PipelinePilot. Does anyone have a protocol they can share or some advice on how to code it up?
Many Thanks,
Louise Birch
Eisai Ltd.
