Hi,
I need to calculate torsion angles in a set of small molecules (not peptides). I have looked into creating a component that would calculate the angle when given the 4 atom numbers. PilotScript doesn't appear to have the vector geometry needed, and I haven't used the perl property calculator before...So, if anyone has one already, it would save me some time developing one. (don't particularly want to redevelop the wheel here....)
Thanks !
Di
I need to calculate torsion angles in a set of small molecules (not peptides). I have looked into creating a component that would calculate the angle when given the 4 atom numbers. PilotScript doesn't appear to have the vector geometry needed, and I haven't used the perl property calculator before...So, if anyone has one already, it would save me some time developing one. (don't particularly want to redevelop the wheel here....)
Thanks !
Di
