QSAR - Sybyl and FlexX from Zaheer-ul-Haq Qasmi on 2004-09-17 (QSAR and MS List)

From: Zaheer-ul-Haq Qasmi <zaheer_qasmi++hotmail.com>
Date: Fri, 17 Sep 2004 22:23:45 +0500

Dear All

I'm working with Sybyl for doing some molecular docking and 3D-QSAR studies
and facing few problems. I'll be thankful in case some one try to solve my
problem.

1. It is bit surprising that Ni metal is not included in the list of metal
in FlexX, I'm working with urease containing Ni metal. I don't know how we
can deal with Ni metal while using flexX for docking.

2. In case of CoMFA studies I need to save counter map produce after 3D-QSAR
studies, but all of my efforts were in vain whenever I tried to save
figures. Even screen capturing facilities in gimp is not working for sybyl.

I'm using sybyl using Linux as an operating system.

with best regards

Zaheer

*************************************************
Zaheer-ul-Haq Qasmi, Ph.D
Assistant Professor
International Center for Chemical Sciences
HEJ Research Institute of Chemistry
University of Karachi,
Karachi - 75270
Pakistan
Home # +92-21-4590-426
Office # +92-21-9243-232 (Ext. 178)
Mobile # +92-300-2512436
Fax # +92-21-9243-190
Email : z-haq[]cyber.net.pk
zaheer_qasmi _ hotmail.com

*************************************************
Received on 2004-09-17 - 14:23 GMT