AMBER Archive (2009)
Subject: [AMBER] angle between ligand ring plane and axis

From: Jia Xu (xujia.ruc_at_gmail.com)
Date: Wed Mar 04 2009 - 05:00:08 CST

Previous message: Robert Duke: "Re: [AMBER] A good way to use an Amber force field with NAMD?"
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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?

Thanks!

-- Jia Xu

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Previous message: Robert Duke: "Re: [AMBER] A good way to use an Amber force field with NAMD?"
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