AMBER Archive (2003)

Subject: AMBER: plane angle.

From: Pascal Bonnet (pascal.bonnet_at_man.ac.uk)
Date: Mon Sep 22 2003 - 10:14:44 CDT

Hi,

Three points or 2 axis are needed to define a plane in Carnal.
I would like to calculate a plane angle but the planes contain more than 3 atoms.
How is it possible to create an "average" plane formed by more than 3 atoms?

For example if I study the interaction between 2 saccharides, how is it possible to create an "average" plane of a sugar rings and later calculate the plane angle?
Even if I use the group flag in carnal, the result is incorrect when I compare with the function "plane angle" in Sybyl.

Thanks for your help.
Pascal

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