Subject: Re: CCL:What software will work?

From: Dr Sudhir Kulkarni <sudhirk)at(vlifesciences.com>
Date: Sat, 27 Nov 2004 13:56:37 +0530

Dear Professor Boyd:

Our software "Molecular Design Suite (MDS)" has facility to obtain 
conformations of organic molecules using Monte Carlo method with MMFF force 
field.  Please have a look at http://www.vlifesciences.com/ProdVLifeMDS.htm 
and register for demo license at 
http://www.vlifesciences.com/RegisterAtVLife.htm

MDS is capable of meeting ALL your requirements.  I am sending you more 
details in a separate mail.

Thank you.

Sudhir Kulkarni, Ph.D.

VLife Sciences Technologies Pvt. Ltd.

At 09:42 PM 11/24/2004, boyd)at(chem.iupui.edu wrote:
>CCLers,
>
>We are seeking recommendations on software that can do ALL the following:
>
>* run Monte Carlo conformational searches on organic molecules with
>200-300 atoms.
>* use the MMFF force field.
>* select which torsional angles are free to rotate and set their step size.
>* fix some torsional angles.
>* analyze the conformers produced, such as exporting the resulting
>torsional angles and energies to a spreadsheet.
>
>We have tried SYBYL, MacroModel, Spartan, Cerius2, Quanta, and InsightII.
>In each case, the software was unable to provide a solution.
>
>Suggestions?
>
>Thankful for your giving recommendations,
>Don
>
>Donald B. Boyd, Ph.D.
>Department of Chemistry
>Indiana University-Purdue University at Indianapolis
>E-mail boyd)at(chem.iupui.edu
>
>
>-= This is automatically added to each message by the mailing script =-
>To send e-mail to subscribers of CCL put the string CCL: on your Subject: line
>and send your message to:  CHEMISTRY)at(ccl.net
>
>Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST)at(ccl.net
>HOME Page: http://www.ccl.net   | Jobs Page: http://www.ccl.net/jobs
>
>If your mail is bouncing from CCL.NET domain send it to the maintainer:
>Jan Labanowski,  jlabanow)at(nd.edu (read about it on CCL Home Page)
>-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+
>
>
>
>
>
>---
>[This E-mail scanned for viruses by Declude Virus]

---
[This E-mail scanned for viruses by Declude Virus]