From m.schoonman@organon.akzonobel.nl  Fri May 23 03:44:17 1997
Received: from gatekeeper.oss.akzonobel.nl  for m.schoonman@organon.akzonobel.nl
	by www.ccl.net (8.8.3/950822.1) id DAA18918; Fri, 23 May 1997 03:16:15 -0400 (EDT)
Received: (from mail@localhost) by gatekeeper.oss.akzonobel.nl (8.7.5/8.7.3) id JAA01452 for <chemistry@www.ccl.net>; Fri, 23 May 1997 09:24:23 +0200 (MET DST)
Received: from apou01.akzonobel.nl(145.49.90.59) by gatekeeper.oss.akzonobel.nl via smap (V2.0alpha)
	id xma001362; Fri, 23 May 97 09:22:57 +0200
Received: by apou01.akzonobel.nl 
	id JAA23890; Fri, 23 May 1997 09:17:08 +0200 (MET DST)
Received: from violet (localhost [127.0.0.1]) by organon.akzonobel.nl (950413.SGI.8.6.12/8.6.12) with SMTP id JAA17354 for <chemistry@www.ccl.net>; Fri, 23 May 1997 09:16:28 +0200
Sender: m.schoonman@organon.akzonobel.nl
Message-ID: <3385444B.41C6@organon.akzonobel.nl>
Date: Fri, 23 May 1997 09:16:28 +0200
From: schoonman Account <m.schoonman@organon.akzonobel.nl>
X-Mailer: Mozilla 3.0Gold (X11; I; IRIX 6.2 IP22)
MIME-Version: 1.0
To: chemistry@www.ccl.net
Subject: Threading Programs Online??
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit


Can someone tell me on what website(s) I can find THREADING PROGRAMS
which operate online or can be downloaded free of charge?
Thank you in advance! 

___________________________________________________________________
Marten J.L. Schoonman			Organon N.V. RK2340
m.schoonman@organon.akzonobel.nl	P.O.Box 20
tel 0412-661469 			5340 BH OSS, The Netherlands

From wall@bacon.ppc-sun  Fri May 23 04:44:11 1997
Received: from bacon.ppc-sun  for wall@bacon.ppc-sun
	by www.ccl.net (8.8.3/950822.1) id DAA19133; Fri, 23 May 1997 03:47:10 -0400 (EDT)
Received: (from wall@localhost) by bacon.ppc-sun (950413.SGI.8.6.12/950213.SGI.AUTOCF) id JAA10021; Fri, 23 May 1997 09:45:51 +0200
Date: Fri, 23 May 1997 09:45:51 +0200
Message-Id: <199705230745.JAA10021@bacon.ppc-sun>
From: "Ernst U. Wallenborn" <wall@bacon.ppc-sun>
To: res@inorg.chem.ethz.ch, ccl@bacon.ppc-sun, chemistry@www.ccl.net
Subject: [alt.folklore.computers] Re: 2001 - why are we getting it wrong? (Re: Year 2000 - leap year


------- Start of forwarded message -------

> 
> Clive "whose home village is twinned with some unpronouncable suburb of
> Lub...Lyub...Ljib...the capital of Slovenia" Feather
> 


Laibach is easy to pronounce, isn't it.

------- End of forwarded message -------

From wall@bacon.ppc-sun  Fri May 23 05:00:30 1997
Received: from bacon.ppc-sun  for wall@bacon.ppc-sun
	by www.ccl.net (8.8.3/950822.1) id DAA19138; Fri, 23 May 1997 03:49:33 -0400 (EDT)
Received: (from wall@localhost) by bacon.ppc-sun (950413.SGI.8.6.12/950213.SGI.AUTOCF) id JAA10025; Fri, 23 May 1997 09:47:42 +0200
Date: Fri, 23 May 1997 09:47:42 +0200
Message-Id: <199705230747.JAA10025@bacon.ppc-sun>
From: "Ernst U. Wallenborn" <wall@bacon.ppc-sun>
To: res@inorg.chem.ethz.ch, ccl@bacon.ppc-sun, chemistry@www.ccl.net
Subject: [alt.folklore.computers] Re: 2001 - why are we getting it wrong?


------- Start of forwarded message -------

In article <slrn5o7t2d.4p4.michels@osiris.informatik.uni-kl.de>,
"Thorsten Michels [Theorie Hiwi]" <michels@osiris.informatik.uni-kl.de>
writes
>> CMXCVII, CMXCVIII, CMXCIX, M, MI, MII, MIII, MIV...
>>(or should that be DCCCCLXXXXVIII, DCCCCLXXXXIX, M, MI...?)
>It should be
> CMXCVII, CMXCVIII, IM, M, MI, ...

Furrfu. VMII, VMIII, IM, M, MI, ...

Clive "nslookup XCIV.CCXVII.CCXL.XXXV" Feather

-- 
Clive D.W. Feather    | Director of Software Development  | Home email:
Tel: +44 181 371 1138 | Demon Internet Ltd.               | <clive@davros.org>
Fax: +44 181 371 1037 | <clive@demon.net>                 | Abuse:
Written on my laptop; please observe the Reply-To address | <clive@bofh.org>
------- End of forwarded message -------

From Gerald.Loeffler@univie.ac.at  Fri May 23 05:44:16 1997
Received: from mailbox.univie.ac.at  for Gerald.Loeffler@univie.ac.at
	by www.ccl.net (8.8.3/950822.1) id FAA19594; Fri, 23 May 1997 05:14:13 -0400 (EDT)
Received: from gerilap.imp.univie.ac.at (gerilap.imp.univie.ac.at [131.130.80.125])
          by mailbox.univie.ac.at (8.8.4/8.8.4) with SMTP
	  id LAA30804; Fri, 23 May 1997 11:13:53 +0200
Message-ID: <33856038.4B53@univie.ac.at>
Date: Fri, 23 May 1997 11:15:36 +0200
From: Gerald Loeffler <Gerald.Loeffler@univie.ac.at>
Reply-To: Gerald.Loeffler@univie.ac.at
Organization: I.M.P.
X-Mailer: Mozilla 3.01 (Win95; I)
MIME-Version: 1.0
To: schoonman Account <m.schoonman@organon.akzonobel.nl>
CC: chemistry@www.ccl.net
Subject: Re: CCL:Threading Programs Online??
References: <3385444B.41C6@organon.akzonobel.nl>
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit


Hi!

The program THREADER by David Jones is available from
http://globin.bio.warwick.ac.uk/~jones/

	all the best,
	gerald

schoonman Account wrote:
> 
> Can someone tell me on what website(s) I can find THREADING PROGRAMS
> which operate online or can be downloaded free of charge?
> Thank you in advance!
> 
> ___________________________________________________________________
> Marten J.L. Schoonman                   Organon N.V. RK2340
> m.schoonman@organon.akzonobel.nl        P.O.Box 20
> tel 0412-661469                         5340 BH OSS, The Netherlands
> 
> -------This is added Automatically by the Software--------
> -- Original Sender Envelope Address: m.schoonman@organon.akzonobel.nl
> -- Original Sender From: Address: m.schoonman@organon.akzonobel.nl
> CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator
> MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73
> Anon. ftp: www.ccl.net   | CHEMISTRY-SEARCH@www.ccl.net -- archive search
>              Web: http://www.ccl.net/chemistry.html

-- 

Gerald Loeffler
PostDoc in Theoretical Biochemistry

EMail: Gerald.Loeffler@univie.ac.at
Phone: +43 1 79730 554
Fax:   +43 1 7987153
SMail: I.M.P. - Research Institute of Molecular Pathology
       Dr. Bohr-Gasse 7
       A-1030 Vienna
       AUSTRIA

From alain.kessi@psi.ch  Fri May 23 07:44:14 1997
Received: from psizi1.psi.ch  for alain.kessi@psi.ch
	by www.ccl.net (8.8.3/950822.1) id HAA20423; Fri, 23 May 1997 07:09:43 -0400 (EDT)
Received: from localhost by psizi1.psi.ch (AIX 4.1/UCB 5.64/4.03)
          id AA22970; Fri, 23 May 1997 13:11:11 +0200
Sender: kessi@psizi1.psi.ch
Message-Id: <33857B4F.2781@psi.ch>
Date: Fri, 23 May 1997 13:11:11 +0200
From: Alain Kessi <alain.kessi@psi.ch>
Organization: PSI
X-Mailer: Mozilla 3.0 (X11; I; AIX 1)
Mime-Version: 1.0
To: "Ernst U. Wallenborn" <wall@bacon.ppc-sun>
Cc: CCL Computational Chemistry List <chemistry@www.ccl.net>
Subject: Re: CCL:[alt.folklore.computers]  2001 - why are we getting it wrong? (Re: Year 2000 - leap year
References: <199705230745.JAA10021@bacon.ppc-sun>
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit


Ernst U. Wallenborn wrote:
> > Clive "whose home village is twinned with some unpronouncable suburb
> > of Lub...Lyub...Ljib...the capital of Slovenia" Feather
> 
> Laibach is easy to pronounce, isn't it.

It's also easily associated with the Nazi occupiers of Slovenia
(although the name Laibach is an old one, it cannot be seen separately
from its reintroduction by the Nazis as the official name of Ljubljana).
Note that the music group Laibach from Ljubljana took an interesting
approach to stating unmistakably their opposition to Nazi ideology, by
using the fascist discourse to the extreme (including in their name) and
breaking the logic of it, in ways each time adapted to their audience. A
practice not without its dangers, to say the least, but apparently they
have been quite good at not being mistaken for Nazis.

Best,

Alain Kessi (Paul Scherrer Institute, Zuerich)

P.S.: Sorry 'bout diffusing stuff other than Computational Chemistry
over this list, but I felt the previous post could not go unanswered.
Please answer privately if you care to comment.

From wall@bacon.ppc-sun  Fri May 23 09:44:14 1997
Received: from bacon.ppc-sun  for wall@bacon.ppc-sun
	by www.ccl.net (8.8.3/950822.1) id JAA21220; Fri, 23 May 1997 09:40:18 -0400 (EDT)
Received: (from wall@localhost) by bacon.ppc-sun (950413.SGI.8.6.12/950213.SGI.AUTOCF) id PAA11199; Fri, 23 May 1997 15:39:06 +0200
Date: Fri, 23 May 1997 15:39:06 +0200
Message-Id: <199705231339.PAA11199@bacon.ppc-sun>
From: Ernst-Udo Wallenborn <wallenborn@phys.chem.ethz.ch>
To: Alain Kessi <alain.kessi@psi.ch>
Cc: "Ernst U. Wallenborn" <wall@bacon.ppc-sun>,
        CCL Computational Chemistry List <chemistry@www.ccl.net>
Subject: CCL:[alt.folklore.computers]  2001 - why are we getting it wrong? (Re: Year 2000 - leap year
In-Reply-To: <33857B4F.2781@psi.ch>
References: <199705230745.JAA10021@bacon.ppc-sun>
	<33857B4F.2781@psi.ch>


Alain Kessi writes:


>P.S.: Sorry 'bout diffusing stuff other than Computational Chemistry
>over this list, but I felt the previous post could not go unanswered.
>Please answer privately if you care to comment.


actually i just had a buggy .mailrc file. the mail
wasn't meant for ccl at all.

your 'could not go unanswered' would be right if i had
posted this intentionally on ccl.

Sorry for the waste of bandwidth. This will not happen again.







From RHERRMAN@nucleus.org.chemie.tu-muenchen.de  Fri May 23 09:52:05 1997
Received: from sunsrv5.lrz-muenchen.de  for RHERRMAN@nucleus.org.chemie.tu-muenchen.de
	by www.ccl.net (8.8.3/950822.1) id IAA20933; Fri, 23 May 1997 08:59:28 -0400 (EDT)
Received: from nucleus.org.chemie.tu-muenchen.de by sunsrv5.lrz-muenchen.de; Fri, 23 May 97 14:59:23 +0200
Received: from NUCLEUS/TEMPQ by nucleus.org.chemie.tu-muenchen.de (Mercury 1.1);
    Fri, 23 May 97 15:01:25 GMT
From: "Dr. Rudolf Herrmann" <RHERRMAN@nucleus.org.chemie.tu-muenchen.de>
To: chemistry@www.ccl.net
Date:          Fri, 23 May 1997 15:00:55 GMT
Subject: Re: CCL:G:CCL as a "Gaussian" Hotline
Return-receipt-to: "Dr. Rudolf Herrmann" <RHERRMAN@nucleus.org.chemie.tu-muenchen.de>
Priority: normal
X-mailer: Pegasus Mail v3.40
Message-Id: <338594ab7417002@sunsrv5.lrz-muenchen.de>


Dear colleagues,

I strongly agree with Craig Burkhart's comments on the misuse of the 
CCL list as a support hotline for GAUSSIAN. A separate mailing list 
for GAUSSIAN  users would probably be the best solution, but I would 
also be happy if the administrators could start the filters which 
they have announced pretty soon. 

Best wishes, happy computing,
R.Herrmann.Dr. Rudolf Herrmann
Institut fuer Organische Chemie und Biochemie der 
Technischen Universitaet Muenchen
Lichtenbergstr. 4
D-85747 Garching
Tel. + 49 - 89 - 28913325
Fax  + 49 - 89 - 28912727

From elewars@alchemy.chem.utoronto.ca  Fri May 23 11:44:16 1997
Received: from alchemy.chem.utoronto.ca  for elewars@alchemy.chem.utoronto.ca
	by www.ccl.net (8.8.3/950822.1) id LAA22119; Fri, 23 May 1997 11:44:02 -0400 (EDT)
Received: (from elewars@localhost) by alchemy.chem.utoronto.ca (8.7.4/8.7.3) id LAA21002 for chemistry@www.ccl.net; Fri, 23 May 1997 11:43:58 -0400 (EDT)
Date: Fri, 23 May 1997 11:43:58 -0400 (EDT)
From: "E. Lewars" <elewars@alchemy.chem.utoronto.ca>
Message-Id: <199705231543.LAA21002@alchemy.chem.utoronto.ca>
To: chemistry@www.ccl.net
Subject: GAUSSIAN HOTLINE?


1997 May  23
CCL AS GAUSSIAN HOTLINE

I think it's a matter of balance. Gaussian users should read the manual first
(manual--a kind of book), _then_ if necessary contact Gaussian; if that
does not work, then I think it's reasonable to resort to the CCL. We should
remember that Gaussian is the most widely-used program for doing computational
chemistry (the most widely-used ab initio program anyway), so it seems almost
natural that on a _computational _chemistry_ list there are going to be
a lot of questions about Gaussian.  So let's tolerate such queries, when they
arise as a last resort.

  E. Lewars
=====


From shenkin@still3.chem.columbia.edu  Fri May 23 12:44:22 1997
Received: from mailrelay1.cc.columbia.edu  for shenkin@still3.chem.columbia.edu
	by www.ccl.net (8.8.3/950822.1) id MAA22332; Fri, 23 May 1997 12:13:01 -0400 (EDT)
Received: from still3.chem.columbia.edu (still3.chem.columbia.edu [128.59.112.36])
	by mailrelay1.cc.columbia.edu (8.8.5/8.8.5) with SMTP id MAA27477
	for <@smtp.columbia.edu:CHEMISTRY@www.ccl.net>; Fri, 23 May 1997 12:13:00 -0400 (EDT)
Received: by still3.chem.columbia.edu (950413.SGI.8.6.12/930416.SGI.AUTO)
	for CHEMISTRY@www.ccl.net id MAA02403; Fri, 23 May 1997 12:12:59 -0400
From: "Peter Shenkin" <shenkin@still3.chem.columbia.edu>
Message-Id: <9705231212.ZM2401@still3.chem.columbia.edu>
Date: Fri, 23 May 1997 12:12:59 -0400
X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail)
To: CHEMISTRY@www.ccl.net
Subject: Bug affecting MacroModel on SGI O2, Origin, Octane Platforms
Mime-Version: 1.0
Content-Type: text/plain; charset=us-ascii


I've sent this to the MacroModel user's mailing list
(mmodlist@chem.iupui.edu), but it occurs to me that there are probably
MacroModel users who read CCL that don't read mmodlist, and I thought
this was important enough to post.

Also, other program may be affected as well, so perhaps it's of
more general interest after all.

It turns out that there's a system bug on several SGI platforms that
prevents BatchMin from operating correctly.  The platforms I know of
that are affected are: the O2 and Origin machines;  the Octane
is probably affected as well.

On the O2 the program simply doesn't run, but on the Origin it runs
but produces incorrect results -- so watch out!

The bug can be fixed in all cases by installing Patch 1775 from SGI.

There are also workarounds.

The simplest workaround is to run a -mips2 version of BatchMin
rather than a -mips4 version;  from the GUI, this requires going
into the Host selection and selecting a -mips2 version.

On the O2, the following alternative also works, if done as root:

# cd /usr/lib32
# ln -s mips3/libfastm.so .

This creates the file /usr/lib32/libfastm.so as a symbolic link to 
the version in /usr/lib32/mips3.

The nature of the bug on the O2 is two-fold.  First, libfastm.so
is missing from /usr/lib32, and as a result the mips4 version of
BatchMin cannot start up.  Second, /usr/lib32/mips4/libfastm.so
is defective, and should not be used.  Patch 1775 supplies a
fixed version, and the workaround described above uses the mips3
version instead, which works but is not quite as highly optimized
as a good mips4 version would be.

On Origin systems, /usr/lib32/libfastm.so is found, so the program
starts up, but the mips4 library is still defective, so the program
gives wrong answers.  The only workaround which I've verified is
to use the mips2 version; in addition, I've verified personally
that Patch 1775 fixes the problem.

On the O2, earlier versions (pre-6.0) of BatchMin encounter
no problems, since for earlier versions only the mips2 version can
run on this platform in any case, and this version works well;  but
on the Origin and (I think) the Octane, which can run 64-bit codes,
I would expect that older versions of BatchMin would suffer the
same problems as 6.0.

(N.B.  For Mmod 6.0, we compile our -mips4 code versions using the 
-n32 ABI, which allows all -mips4 platforms to run the codes;  
previously, the -mips4 code used the -n64 ABI, which limited
execution to IRIX64 platforms, such as the PowerChallenge and
Origin.)

	-P.

-- 
**** "Deep Blue can't triumph in the game of life" (NY Times, 5/13/97) ****
* Peter S. Shenkin; Chemistry, Columbia U.; 3000 Broadway, Mail Code 3153 *
** NY, NY  10027;  shenkin@columbia.edu;  (212)854-5143;  FAX: 678-9039 ***
*MacroModel WWW page: http://www.columbia.edu/cu/chemistry/mmod/mmod.html *

From vedi0999@stallion.jsums.edu  Fri May 23 14:44:15 1997
Received: from stallion.jsums.edu  for vedi0999@stallion.jsums.edu
	by www.ccl.net (8.8.3/950822.1) id NAA23054; Fri, 23 May 1997 13:51:10 -0400 (EDT)
Received: from localhost by stallion.jsums.edu (AIX 3.2/UCB 5.64/4.03)
          id AA27095; Fri, 23 May 1997 12:53:02 -0500
Date: Fri, 23 May 1997 12:53:02 -0500 (CDT)
From: Venkateswarlu Divi <vedi0999@stallion.jsums.edu>
To: chemistry@www.ccl.net
Subject: Current Trends in Comp. Chemistry !!
Message-Id: <Pine.A32.3.95.970523124823.33775A-100000@stallion.jsums.edu>
Mime-Version: 1.0
Content-Type: TEXT/PLAIN; charset=US-ASCII



                             
                       FIRST ANNOUNCEMENT


                                                        May 14, 1997

Dear Colleague:
  
We are pleased to announce the sixth conference on Current Trends  in
Computational Chemistry. This symposium, organized by Jackson State
University, will cover all areas of computational chemistry as well as
quantum chemistry. The local host of the conference is the US Army Corps
of Engineers Waterways Experiment Station (WES) in Vicksburg, Mississippi.

The meeting will be held at the Holiday Inn of Vicksburg, Mississippi
(40 miles west of Jackson) on November 7 and 8, 1997. The format consists
of a series of plenary lectures and poster presentations on Friday and
Saturday, covering applications as well as theory. In addition, a banquet
is scheduled for Friday evening and a dinner and reception for Saturday
evening.

We are planning to publish extended abstracts (up to four pages each) of
all invited talks and poster presentations. Original scientific contributions
will be published in a special issue of the Journal of Molecular Structure
(THEOCHEM). Manuscripts for inclusion in the special issue should be
submitted in triplicate upon arrival at the registration desk. Submitted
papers will be subject to the journal's standard referee  procedures.


Sincerely,

Jerzy Leszczynski 
Chairman of the Organizing Committee


                          INVITED SPEAKERS 
       to the 6th Conference on Current Trends in Computational Chemistry

Petr Carsky                   Acad. of Sciences of  the Czech Republic
Michel Dupuis                 Pacific Northwest Ntnl Lab.
Clifford E. Dykstra           Indiana Univ.-Purdue Univ.Indianapolis
George R. Famini              U.S. Army Edgewood RD&E Center
Barry Honig                   Columbia University
Mariusz A. Klobukowski        University of Alberta
Gilda Loew                    Molecular Research Institute
Hiroshi Nakatsuji             Kyoto University
Pekka Pyykko                  University of Helsinki
Jean-Louis Rivail             Universite Henri Poincare
H. Bernhard Schlegel          Wayne State University
Jack Simons                   University of Utah
James J.P. Stewart            Stewart Computational Chemistry


6TH CONFERENCE ON 
Current Trends In Computational Chemistry

NOVEMBER 7 & 8, 1997, Vicksburg, Mississippi. 


1.   

NAME:_______________________________________________________________

MAILINGADDRESS:___________________________________________________
_____________________________________________________________________

TELEPHONE:__________  FAX: ______________  E-MAIL:_________________

2.   If you wish to present a poster, please indicate the title below. All
     abstracts are due by September 1, 1997 (up to 4 pages in length,
     presenting author underlined, photo ready quality, in duplicate) to
     ensure publication in the Conference Materials.
     TITLE:______________________________________________________________

     ____________________________________________________________________

     AUTHORS:__________________________________________________________

3.   Conference materials, banquet and reception fee, all meals from breakfast
     Friday through dinner Saturday, coffee, and refreshments are included per
     paid participant.

     MAKE CHECKS PAYABLE TO: Current Trends in Computational Chemistry. 

     Registration fee before September 1, 1997       US   $150.00   $_________   

     Registration fee thereafter                           200.00   $_________

     Registration fee at student discount                   75.00   $_________

4.   HOUSING: The organizers will not make housing reservations. To reserve
     a room at the special conference rate of $50.00-$60.00 per room, contact
     the Holiday Inn of Vicksburg, 3330 Clay Street, Vicksburg, MS 39180,
     Tel:(601)636-4551, Fax:(601)636-4552. Reservations should be arranged
     with the Holiday Inn prior to October 10, 1997.   

          I do _____ do not _____ plan to stay at the conference hotel.

          I do _____ do not _____ plan to submit a paper to the special
            issue of THEOCHEM.

     
                                        ____________________
                                             Signature

http://tiger.jsums.edu:8080/~mikes/compconf.html
  Department of Chemistry, Jackson State University, Jackson, MS 39217, USA
  Conference Chairman: Dr. Jerzy Leszczynski, Tel: 601-973-3482,
       Email: jerzy2.iris5.jsums.edu.
  Conference Secretary: Ms. Liqun Wong, Tel: 601-973-3723,
       Email: liqun@tiger.jsums.edu.


From stoutepf@carbon.dmpc.com  Fri May 23 15:44:22 1997
Received: from gatekeeper.es.dupont.com  for stoutepf@carbon.dmpc.com
	by www.ccl.net (8.8.3/950822.1) id PAA23464; Fri, 23 May 1997 15:06:37 -0400 (EDT)
Received: by gatekeeper.es.dupont.com; id PAA16204; Fri, 23 May 1997 15:06:37 -0400
Received: by esds01.es.dupont.com; id AA16648; Fri, 23 May 97 15:06:36 -0400
Received: from [158.117.170.103] (esm170103.dmpc.com [158.117.170.103])by carbon.dmpc.com (8.8.5/8.8.5) with ESMTP id PAA07962;Fri, 23 May 1997 15:06:34 -0400 (EDT)
Message-Id: <v03102801afab99b11056@[158.117.170.103]>
In-Reply-To: <33856038.4B53@univie.ac.at>
References: <3385444B.41C6@organon.akzonobel.nl>
Mime-Version: 1.0
Content-Type: text/plain; charset="us-ascii"
X-Organization: The DuPont Merck Pharmaceutical Company
X-Mailer: Eudora Pro 3.1 for Macintosh
Date: Fri, 23 May 1997 15:06:33 -0400
To: chemistry@www.ccl.net
From: Pieter Stouten <stoutepf@carbon.dmpc.com>
Subject: Re: CCL:Threading Programs Online??
Cc: Marten Schoonman <m.schoonman@organon.akzonobel.nl>,
        Gerald.Loeffler@univie.ac.at


On 97/05/23 at 11:15 +0200, Gerald Loeffler wrote:

>The program THREADER by David Jones is available from
>http://globin.bio.warwick.ac.uk/~jones/
>
It seems to be available only for academic/non-profit institutions and
industrial collaborators of the Protein Bioinformatics group at the
University of Warwick.

If I may rephrase the original request: does anybody know where to get
free/cheap threading programs that can be used by industrial groups?

Thanks,

Pieter Stouten <stoutepf@carbon.dmpc.com>



From cburkhart@goodyear.com  Fri May 23 16:44:22 1997
Received: from goodyear.com  for cburkhart@goodyear.com
	by www.ccl.net (8.8.3/950822.1) id QAA23961; Fri, 23 May 1997 16:30:08 -0400 (EDT)
Received: from rdsrv2 by goodyear.com (SMI-8.6/SMI-4.1)
	id QAA04674; Fri, 23 May 1997 16:30:09 -0400
Received: from rds2721 by rdsrv2 (4.1/SMI-4.1)
	id AA21169; Fri, 23 May 97 16:30:09 EDT
Sender: burkhart@goodyear.com
Message-Id: <3385FDD5.41C6@goodyear.com>
Date: Fri, 23 May 1997 16:28:05 -0400
From: Craig Burkhart <cburkhart@goodyear.com>
Organization: Goodyear Research
X-Mailer: Mozilla 2.02S (X11; I; IRIX64 6.2 IP28)
Mime-Version: 1.0
To: Computational Chemistry List <chemistry@www.ccl.net>
Subject: CCL as Gaussian Hotline...Finale
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit


Dear Netters,

I thank all who have replied publicly and privately concerning my
statements about the usage of the CCL as a de facto Gaussian, Inc
"hotline" service. Pandora's box has indeed been opened!

Several items recur in the responses:

1) Gaussian users remark that they do eventually get responses from
Gaussian, Inc--but often it takes a "couple" of days.

2) That Gaussian users are "quick to ask but slow to read".

3) That the user base may be very large [but only Gaussian knows
   for sure :) ].

Recommendations have included:

1) Establishment of a mail-exploder for Gaussian Users.

2) Hiring of new customer support staff by Gaussian, Inc.


I concur with all the items above. In particular, the establishment
of recommendation #1 would be easy to implement for Gaussian, Inc.,
and would resolve much of the noise level on the CCL. However, I
submit to the readership at-large that Gaussian to-date has chosen
not to provide customer support at an acceptable level. There are
many companies much smaller who have done an admirable job with
customer support, both in terms of telephone and electronic support.

I would like this line of discussion to close for the time being and
reserve final judgment until some action (or lack thereof) occurs.
Some have preached tolerance. Well I think many of us have been
more than tolerant with the status quo for way too long.

Once again, I thank all who have contributed to the discussion.
Let's keep the CCL an effective way to ask and contribute information.

Sincerely yours,

Craig Burkhart
cburkhart@goodyear.com

