From owner-chemistry@ccl.net Thu Dec  4 16:09:00 2008
From: "Mihaly Mezei Mihaly.Mezei!A!mssm.edu" <owner-chemistry _ server.ccl.net>
To: CCL
Subject: CCL: Cremer-pople parameters
Message-Id: <-38251-081204102650-10341-c/bQH1w0iisW/OAe3pgUlQ _ server.ccl.net>
X-Original-From: Mihaly Mezei <Mihaly.Mezei++mssm.edu>
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Date: Thu, 04 Dec 2008 10:26:34 -0500
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Sent to CCL by: Mihaly Mezei [Mihaly.Mezei##mssm.edu]





----- Original Message -----
> From: "Neha Gandhi n.gandhiau[a]gmail.com" <owner-chemistry~~ccl.net>
Date: Thursday, December 4, 2008 12:38 am
Subject: CCL: Cremer-pople parameters

> 
> Sent to CCL by: "Neha Gandhi" [n.gandhiau===gmail.com]
> Hi,
> 
> I am looking for a program which can help me to calculate Cremer-Pople
> ring puckering parameters for pyranose or in general six member rings
> > from the AMBER trajectories. I heard about Mark Foster's program 
> QCPE,but its hard to visualise.
> 
> I am grateful for you reply,
> 
> Regards,
> Neha Gandhi,
> School of Biomedical Sciences,
> Curtin University of Technology,
> GPO Box U1987 Perth,
> Western Australia 6845
> 
> 
My program Simulaid can do that (http://inka.mssm.edu/~mezei/simulaid)

Regards,
> Mihaly Mezei

Department of Structural and Chemical Biology, Mount Sinai School of Medicine, NYU
Voice:  (212) 659-5475   Fax: (212) 849-2456
WWW (MSSM home): http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=0000072500001497192632
WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei
WWW (Department): http://atlas.physbio.mssm.edu