Subject: Beta testers wanted: CS Chem3D with MOPAC

From: <[email-masked]>
Date: Thu, 22 Feb 96 13:28:05 EST

In the next few months we will be starting testing of CS Chem3D 3.5 with 
MOPAC, for Macintosh (68K and PowerPC) and Windows (3.1, 95, and NT) 
computers.  

We will be testing a fully-functioning version of MOPAC 93, the "latest 
and greatest" version of MOPAC developed by Fujitsu and Dr. Jimmy 
Stewart with significant improvements and enhancements over the public 
domain MOPAC 6 and even over MOPAC 7.  This is an authorized release 
that we are producing in collaboration with Fujitsu and 
Dr. Stewart.  In combining MOPAC with Chem3D, we have been able to 
retain all of the powerful computational features of MOPAC while adding 
the ease-of-use features of Chem3D's graphical interface.  No more 
having to generate Z-matrixes and input files -- Chem3D handles all of 
that for you (although you can still run input files directly if you 
want).

There will also be a bunch of enhancements to Chem3D itself.

We have a limited number of openings for qualified beta testers for this 
new product.  If you are interested in testing, we'd love to hear from 
you, but we are particularly interested in people who match any of the 
following descriptions:

1)  Currently use MOPAC and would be able to verify that our results 
    match those produced by other versions (they should!)
2)  Have used MOPAC before and are familiar with its non-obvious
    features (MOPAC power-users)
3)  Have wanted to use MOPAC in the past, but have been put off by its
    interface or unavailability.
4)  ...or?

Anyone interested in participating in this test should complete an 
application form available at http://www.camsoft.com/betainfoform.html 
or by anonymous ftp from ftp.camsoft.com in /pub/support/BETA_README
Please read the important additional information at the top of the form, 
and only submit the application if you agree to the terms listed there.

Thanks a lot.  We hope to hear from you!

Jonathan Brecher
CambridgeSoft Corporation
[email-masked]

>From [email-masked] Thu Feb 22 06:09 EST 1996
Date: Thu, 22 Feb 1996 11:06:57 +0000
To: [email-masked]
From: Nick Lynch <[email-masked]>
Subject: gNMR

Cherwell Scientific are pleased to announce that gNMR for Windows is now
available.

Many thanks to the members of the CCL who beta-tested the Mac and Windows
version of gNMR.

gNMR is designed for chemists who perform NMR analysis and require immediate
results on their desktop computer. Single molecules, or mixtures of
molecules containing many different NMR-active nuclei, may be simulated and
analysed. Users can also 'cut and paste' chemical structures from most
popular drawing packages directly into gNMR for NMR simulation. gNMR
converts experimental spectra from many file formats. The wide range of
analysis techniques available do not require any programming expertise.

For a more detailed description, user comments and the opportunity to
download a demo please go to our home page:

http://www.cherwell.com/cherwell

Or e-mail [email-masked]

Or write to:

Cherwell Scientific
Magdalen Centre
Oxford Science Park
Oxford
OX4 4GA
Tel +44 (0)1865 784800
Fax +44 (0)1865 784801

Users in North America are encouraged to contact SoftShell International at:

http://www.softshell.com/
e-mail [email-masked]
+1 970-242-7502

If you have a chemistry program which you think should be commercially
published please e-mail me with the details. I will be happy to advise you.

Nick Lynch

---                                                                       ---
     Nick Lynch  PhD                |  e-mail:  [email-masked]
     Commissioning Editor           |  Phone:    +44 (0)1865 784812
     Cherwell Scientific Publishing |  Fax:      +44 (0)1865 784801
     Oxford OX4 4GA UK              |  http://www.cherwell.com/cherwell
---                                                                       ---

>From [email-masked] Wed Feb 21 10:18 EST 1996
Date: Wed, 21 Feb 1996 18:11:25 
From: "Nekrasov Alex" <[email-masked]>
Organization: ibch
To: [email-masked]
Subject: research project

Dear Collegues:

	We would like to collaborate with you and submit a joint research 
proposal to U.S. Civilian Research and Development Foundation 
(WWW: http://www.internext.com/crdf).
We look forward to beginning the dialogue and then to expanding our research 
and business relations. If you are interested in cooperation in these mutual 
investigation we will greatly appreciate you kindly reply by FAX or E-mail. 
Please do not reply to the mailing list because we are not subscribed.

Dr. A. Wulfson, Ph.D.
Head of the Recombinant Proteins Group
FAX:  +7 (095) 330-7274
E-mail:  [email-masked]
_____________________________________________________________________________
General:  our research group of biotechnology of recombinant proteins deals 
with isolation, purification and production of biologically active human 
recombinant proteins such as cytokines and insulin. Recently we carried out 
the development of a technological scheme for the production of human 
TNF-alpha (wild-type as well as  mutants), Il-3 and IFN-gamma. Based upon 
strains designed at our Institute, we are developing at present the 
technological operation for production of insulin. Results of our 
investigation of TNF-alpha will be published in 
Russian Journal of Bioorganic  Chemistry N3, 1996 
(English edition is available)
"An Effective Method of Purification For Human Recombinant Tumor Necrosis 
Factor Alpha".
R.V. Tikhonov, S.A. Yakimov, V.G. Korobko, A.N. Wulfson
Shemyakin and Ovchinnikov Institute of Bioorganic Chemistry, 
Russian Academy of Sciences, 117871, Miklukho-Maklaya St. 16/10, 
Moscow, Russia.

During the progress of our research work we have faced some problems 
connected with preservation of biological activity of  rhIFN-gamma. 
That's only one reason why we have no opportunity to start the clinical 
trials of our product and make promotion of the medicines based on rhIFN-gamma 
for clinical applications. To solve this problem we are going to make 
experimental work to design more stable variants of  rhIFN-gamma in the 
following lines of investigation:

1. COMPUTER DESIGN OF PROTEINS
The computer modeling by the molecular dynamics method of protein spatial 
structure to determine potential mutation regions which allow formation of 
rhIFN-gamma dimer binding by S-S bonds.

2. GENETIC ENGINEERING
a) Preparation of  N-terminal deletion mutants lacking 7-10 residues. We 
suppose that such shortening will increase the stability of protein and 
facilitate its renaturation without lost of protein activity 
b). Preparation of mutant analogs of rhIFN-gamma in which the spatial 
structure would be stabilized by intermolecular S-S bonds.

3. STRUCTURAL ANALYSIS
Analysis  of  the protein dimer  spatial structure by  X-ray analysis  or  
NMR-spectroscopy.

4. BIOTECHNOLOGY
Isolation and purification of the recombinant protein, its renaturation and 
determination of reagents and buffer solutions in which the protein remains 
stable during long time periods and can be lyophilized with minimal lost of 
activity.

We hope that a combination of these approaches would give us the possibility 
to design stable substance of protein rhIFN-gamma for our further work.

>From [email-masked] Wed Feb 21 13:11 EST 1996
Date: Wed, 21 Feb 96 13:22:27 -0500
From: [email-masked] (Joel Polowin)
To: [email-masked] (Doug Smith), [email-masked]
Subject: Re:  CCL:problem running Hyperchem 4.5

> From: [email-masked] (Doug Smith)
> Date: Tue, 20 Feb 1996 23:10:07 +0000
> 
> I have version 4.5 running on my Pentium, along with ChemPlus 1.5.  I have
> just changed from Windows 3.1 to Windows NT Workstation 3.51. Now Hyperchem
> does not find the hardware lock, and looks on the network for a network
> license (which doesn't exist). How can I quickly fix this problem?

For HyperChem to communicate with the hardware lock under Windows NT, it
is necessary to install an NT port driver.  That driver is available via
our WWW page (http://www.hyper.com ) under Support / FAQs, or from our
ftp site (ftp.hyper.com) in the support directory.  The file is rainport.exe,
and it is a self-extracting archive file that should be executed with the
'-d' option to restore the directory structure of the archive:

rainport -d

It contains README files that describe the installation procedure.  The
driver is, of course, also available by writing to [email-masked] .

Joel

------------
Joel Polowin, Ph.D.   Manager, Scientific Support
Email to: [email-masked] 

Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040
Info requests to: [email-masked]    Support questions to: [email-masked]
Email group: Send "subscribe hyperchem" to [email-masked]
WWW: http://www.hyper.com/

>From [email-masked] Wed Feb 21 08:46 EST 1996
Date: 21 Feb 1996 07:18:07 GMT
From: [email-masked]
Subject: Dipole-Dipole Interaction in Dynamics
To: [email-masked]

----------------------------------------------------------------------
THIS MAIL MESSAGE IS FROM THE INTERNET AND MAY HAVE BEEN READ, COPIED,
OR MODIFIED BY USERS OTHER THAN INTENDED RECIPIENTS.
----------------------------------------------------------------------

Dear List Members,

   Is there a Molecular Dynamics Package which incorporates dipole-dipole
interaction in the electrostatic computation?.
I would appreciate any input in this regard.

  Thanks

 --Mani--

Dr. P. S. Subramanian
Fuels and Lubrication Division
Texaco Inc.
P. O. Box 509
Beacon, NY 12508
email: [email-masked]
vmail: 914-838-7561

>From [email-masked] Thu Feb 22 03:17 EST 1996
From: <[email-masked]>
Date: Thu, 22 Feb 96 09:15:27 +0100
To: [email-masked], [email-masked]
Subject: Re: CCL:J. Computer-aided molecular design

ESCOM Science Publishers in collaboration with the Center for Molecular 
Design offers an experimental electronic version of the Journal of Computer-Aided 
Molecular Design.
Access to full text searchable files will be made available to subscribers of the 
printed journal.
	    http://wucmd.wustl.edu/jcamd/jcamd.html

If you have similar questions, it is a good idea to consult some of the
resource collections on the internet, like:
        http://www.rpi.edu/dept/chem/cheminfo/chemres.html

Best regards,

Thomas Wieland               +---------------+
Dipl. Math.                  |+----    +----+|   "Es irrt der Mensch,
Lehrstuhl II f. Mathematik   |\    \   |    ||      solang er strebt.
Universitaet Bayreuth        | \    \  |    ||    ...
                             |  \    \ |    ||    Doch nur wer immer strebend
95440 Bayreuth               |   \    \\    ||      sich bemueht, denn koennen
Germany                      |    \    \\   ||      wir erhoeren." 
Tel. +49 (921) 553386        |     \     \\ ||                      Goethe
Fax  +49 (921) 553385        |      \-------||
                             +---------------+
 **** Do you know MOLGEN? **** http://btm2xd.mat.uni-bayreuth.de/molgen ****