From owner-chemistry@ccl.net Thu Mar 20 12:00:01 2014
From: "Tian Lu sobereva^^^sina.com" <owner-chemistry[#]server.ccl.net>
To: CCL
Subject: CCL: WFA Surface analysis suite.
Message-Id: <-49866-140320062515-9192-LT4yUGJDIkR05ykvq1/dug[#]server.ccl.net>
X-Original-From: "Tian  Lu" <sobereva(_)sina.com>
Date: Thu, 20 Mar 2014 06:25:14 -0400


Sent to CCL by: "Tian  Lu" [sobereva,,sina.com]
Hi Ranga,

I have not used WFA-Surface analysis suite, but I anticipate that you may also have interest in Multiwfn, whose quantitative molecular surface analysis module has similar capacity as WFA, but also features additional functions, such as local molecular surface analysis and Hirshfeld surface analysis. Please consult the examples given in Section 4.12 of the manual and the details introduced in Section 3.15. Multiwfn is freely available at http://Multiwfn.codeplex.com.

Best wishes,

Tian Lu



----- Original Message -----
> From: "ranga- -iitp.ac.in" <owner-chemistry .. ccl.net>
To: "Lu, Tian " <sobereva .. sina.com>
Subject: CCL: WFA Surface analysis suite.
Date: 2014-03-19 21:51


Sent to CCL by: ranga---iitp.ac.in
Hi all,
I am interested in obtaining the Wave Function Analysis - Surface Analysis
Suite (WFA-SAS) by Dr. Felipe Bulat.
It is available free of charge from Dr. Felipe Bulat directly, however
the e-mail address provided at,
http://www.clevetheocomp.org/programs_and_resources_wfa_sas_screen.html
bounces back.
If anyone has access to the suite could you possibly share it?
Looking forward positive response,
With Best Regards,
Ranga