AMBER Archive (2009)

Subject: [AMBER] angle between ligand ring plane and axis

From: Jia Xu (
Date: Wed Mar 04 2009 - 05:00:08 CST

Dear Amber users,
    I would like to analyze the axial ligand orientation in the trajectory
of a heme protein. For example, I want to get the angle (shown in
attachment) between the residue HIS96 imidazole plane and the NA-Fe-NC axis
from the trajectory of a heme protein (PDB entries 1W92). However, I have
no idea how to manage it. Could anyone help me to solve that problem?


Jia Xu


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