Subject: CCL: Orient molecule in GRID

From: Jinsong Zhao <zh_jinsong_at_yahoo.com.cn>
Date: Wed, 14 Jul 2004 10:49:30 +0800 (CST)

Dear all,

I have a set of molecule, I hope to do molecular interaction field
(MIF) analysis using GRID21 (Molecular Discovery Ltd.). I hope to do a
CoMFA like analysis, i.e., performing PLS analysis on the MIF data,
thus molecular orientation or molecular alignment is very important in
such situation. 

However, I don't know how to control the molecular orientation in
GRID21 and give a reasonable box arround the molecule.

Any suggestions will be really appreciated. Thanks in advance.

Regards,

Jinsong

=====
(Mr.) Jinsong Zhao
Ph.D. Candidate
School of the Environment
Nanjing University
No.22 Hankou Road, Najing 210093
P.R. China
E-mail: zh_jinsong_at_yahoo.com.cn

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