From owner-molec-model@net.bio.net Thu Apr 06 23:00:00 1995
Path: biosci!daresbury!bioftp.unibas.ch!news.vub.ac.be!idefix.CS.kuleuven.ac.be!Belgium.EU.net!EU.net!howland.reston.ans.net!quagga.ru.ac.za!inet.up.ac.za!rincewind.up.ac.za!fourie
From: fourie@ccnet.up.ac.za (Fourie Joubert)
Newsgroups: bionet.molec-model
Subject: Raster3D on Solaris 2.3?
Date: Fri, 7 Apr 1995 07:49:15 GMT
Organization: University of Pretoria
Lines: 19
Message-ID: <fourie.618.797240955@ccnet.up.ac.za>
NNTP-Posting-Host: rincewind.up.ac.za

Hi

Has anyone compiled Raster3D on Solaris? I have compiled it on Linux without 
problems, and I am really impressed but it is a little slow on my 486. I 
would prefer to run it on our Sparc1000, but can not get it to compile...

Any help would be sincerely appreciated?


__________________________________________________________________________

     _/_/_/_/  _/_/_/_/_/  Fourie Joubert           
    _/            _/     Department of Biochemistry
   _/            _/    University of Pretoria
  _/_/_/_/      _/   South Africa
 _/            _/  fourie@ccnet.up.ac.za
_/      _/_/_/_/  http://suntiger.ee.up.ac.za/biodocs/home.html
__________________________________________________________________________


From owner-molec-model@net.bio.net Sun Apr 09 23:00:00 1995
Path: biosci!adam.cc.sunysb.edu!news.sprintlink.net!howland.reston.ans.net!news2.near.net!news3.near.net!yale!usenet
From: abonvin@volta.csb.yale.edu ("Alexandre Bonvin")
Newsgroups: bionet.molec-model
Subject: X-PLOR www pages
Date: 10 Apr 1995 17:48:36 GMT
Organization: Yale University, Department of Computer Science, New Haven, CT
Lines: 16
Message-ID: <3mbr1k$ij3@babyblue.cs.yale.edu>
NNTP-Posting-Host: volta.csb.yale.edu

Dear netters,

Xplor has now a www home page featuring the X-PLOR manual and tutorial  
files on-line. The address is:

    http://pauli.csb.yale.edu


Alexandre

==========================================================================
| Alexandre Bonvin PhD           | Phone: (203) 432-5066                 |
| Mol. Biophys. & Biochemistry   | Fax:   (203) 432-6946                 |
| Yale University, PO Box 208114 | Email: abonvin@laplace.csb.yale.edu   |
| New Haven CT 06511, USA        |                                       |
==========================================================================

From owner-molec-model@net.bio.net Sun Apr 09 23:00:00 1995
Path: biosci!bloom-beacon.mit.edu!usc!cs.utexas.edu!uunet!newsfeed.ACO.net!fstgds15.tu-graz.ac.at!balu.kfunigraz.ac.at!BKFUG.KFUNIGRAZ.AC.AT!KLINTSCHAR
From: KLINTSCHAR@BKFUG.KFUNIGRAZ.AC.AT (Gerd Klintschar)
Newsgroups: bionet.molec-model
Subject: whre to get GRID?
Date: Thu, 6 Apr 1995 22:11:12
Organization: IPC-KFUG
Lines: 14
Message-ID: <KLINTSCHAR.75.00163070@BKFUG.KFUNIGRAZ.AC.AT>
NNTP-Posting-Host: bpch02.kfunigraz.ac.at
X-Newsreader: Trumpet for Windows [Version 1.0 Rev Final Beta #10]

Dear netters!

Can somebody please tell me where to get the program 
GRID, or/and any other program that does the same.

thank you very much!

Gerd
------------------------------------------------------------------------------
internet: Klintschar@bkfug.kfunigraz.ac.at
voice ++43-316-380/5469, ++43-316-347694
fax   ++43-316-32248
Gerd Klintschar, IPC-KFUG, Heinrichstrasse 28/5/516, 8010 Graz, Austria
------------------------------------------------------------------------------

From owner-molec-model@net.bio.net Tue Apr 11 23:00:00 1995
Path: biosci!rutgers!oitnews.harvard.edu!das-news2.harvard.edu!news2.near.net!howland.reston.ans.net!quagga.ru.ac.za!inet.up.ac.za!rincewind.up.ac.za!fourie
From: fourie@ccnet.up.ac.za (Fourie Joubert)
Newsgroups: bionet.molec-model
Subject: To: ML Dodson
Date: Wed, 12 Apr 1995 08:10:18 GMT
Organization: University of Pretoria
Lines: 27
Message-ID: <fourie.619.797674217@ccnet.up.ac.za>
NNTP-Posting-Host: rincewind.up.ac.za

Hi

Thanks for your message - your return address gets bounced as invalid from 
my system (bdodson@beowulf).

I got raster3d to compile, but the avs2ps fortran code does not work in f77. 
it complains about a byte comparison in line 48 of modsubs.c.

The avs file that gets created differs slightly from the one on my Linux 
system (1st byte), and I can not view it!  Image Magick compiles happily on 
the Sparc, but when I try to run it I get a memory allocation error. The 
Sparc has 256M physical and 512M virtual memory.....

Thanks for the interest and enjoy your day!



__________________________________________________________________________

     _/_/_/_/  _/_/_/_/_/  Fourie Joubert           
    _/            _/     Department of Biochemistry
   _/            _/    University of Pretoria
  _/_/_/_/      _/   South Africa
 _/            _/  fourie@ccnet.up.ac.za
_/      _/_/_/_/  http://suntiger.ee.up.ac.za/biodocs/home.html
__________________________________________________________________________


From owner-molec-model@net.bio.net Wed Apr 12 23:00:00 1995
Path: biosci!biosci!not-for-mail
From: andrewt@r-node.io.org (Andrew Thomas)
Newsgroups: bionet.cellbiol,bionet.general,bionet.genome.chromosomes,bionet.immunology,bionet.microbiology,bionet.molbio.methds-reagnts,bionet.molbio.proteins,bionet.molec-model,bionet.mycology,bionet.plants,bionet.software,bionet.virology
Subject: SURVEY - Things we'd like to see (commercial)
Date: 13 Apr 1995 14:44:34 -0700
Organization: Sakura Software Inc., Mississauga, Ontario, Canada
Lines: 178
Sender: biohelp@net.bio.net
Distribution: world
Message-ID: <3mk602$3vm@net.bio.net>
NNTP-Posting-Host: net.bio.net
Xref: biosci bionet.cellbiol:2072 bionet.general:14638 bionet.genome.chromosomes:541 bionet.immunology:3823 bionet.microbiology:1994 bionet.molbio.methds-reagnts:27180 bionet.molbio.proteins:4282 bionet.molec-model:320 bionet.mycology:1936 bionet.plants:6388 bionet.software:11785 bionet.virology:2246


I am posting this for a business consulting company.  It is a
questionnaire on the subject of lab techniques, equipment and software
in the biotechnology field, with an eye toward introducing prducts
into those areas where respondents feel there are weaknesses.  This is
your chance to complain about everything from overpriced equipment to
ergonomic disfunction :-).  Please send responses to one of the two
addresses below:

	couper@magi.com
	andrewt@io.org

Thanks in advance,
	Andrew Thomas

-------------------------------------------------------------

                                                April 5, 1995

ADP & Associates
42 Rideau River Lane
Ottawa, Ontario
K1S 0X1

TEL:   (613)526-5609
email: couper@magi.com



We are a business consulting company conducting a market study
on  behalf  of a research and development group interested  in
expanding into biotechnology. Our client is specialized in the
creation  of  new  and  innovative scientific  equipment.  The
object of this survey is to get the direct input of the actual
users  of  the  intended technology. Our client is  constantly
looking  to  develop  products that will simplify  your  work,
save you time, improve safety and reduce your operating costs.

In the questionnaire we have tried to find a balance where the
questions will simultaneously cover all our respondants  areas
of interest and be specific enough for their particular needs.
We  have  also tried to keep it as short as possible.   Should
you  find  that our questionnaire does not adequately  address
your  interests, please feel free to add your comments at  the
end.  All of your comments are valuable to us and all of  your
ideas  have  potential.  Our client is  capable  of  producing
products  with  a varying range of complexity, from  the  most
rudimentary test-tubes to specialized automation hardware  and
computer software. Should your suggestion be a starting  point
for   an   actual   product,   you   will   qualify   for   an
idea/development bonus of $500.00

We  would like to take this opportunity to thank you for  your
valuable  input. If you have any questions or require  further
information  please  feel  free to contact  us  at  the  above
address or telephone number.

If  you would like to be kept informed of our client's product
development, please print your name, address and FAX number at
the bottom of the questionnaire.


Yours truly,
A. Douglas Palmer.

--------------------------------------------------------------

                        Questionnaire

1.   What   are  the  three  most  time  consuming  tasks   or
     procedures carried out in your laboratory?



2.   Is equipment used in performing these tasks?     [Yes/No]
     If so, what?

     If not, what would you like to see made available?

3.   What types of equipment or tools for research, production
     or management would you like to see made available to you
     (not currently available on the market)?
     1.
     2.
     3.
     4.
     5.

     What  improvements (not available on the market) to  your
     current equipment would you like to see? Please describe.


4.   What  types  of  equipment or tools, which  you  are  not
     currently  using, would you purchase if  it  were  priced
     lower?  What type of equipment or tools do you  feel  you
     are paying too much for?


5.   What dangerous activities do you regularly perform? Could
     they be made safer with better tools or equipment?


6.   What  are  some of the more "menial" tasks  performed  in
     your  laboratory?  (tasks which use up valuable personnel
     hours, taking away from research).


7.   Could  your  daily operations be improved by the  use  of
     specialized computer software?                   [Yes/No]
 

     What should this software be capable of achieving? Please
     provide as much detail as you feel appropriate.

     Log book
     Data Manipulation
     Data Analysis
     Database
     Graphics
     Product interfaces
     Simulation and Prediction
     Control and Monitoring of Equipment
     Other


8.   What  are  your fields of expertise? Please  indicate  as
     many as appropriate. (Please be as specific as you can).

     Biochemistry
     Microbiology
     Genetic Research
     Virology
     Plant Research
     Animal Research
     Medical Research
     Pharmaceuticals
     Other.


9.   Is   your   research   primarily   market   oriented   or
     investigative?


10.  What   is   the  size  of  your  laboratory  (number   of
     personnel)?

     1 - 5
     6 - 10
     11 - 15
     16 - 20
     > 20


11.  Which trade publications do you read?
     1.
     2.
     3.
     4
     5


12.  If you have any other comments or suggestions please feel
     free to put them here.




         Name: 

 Work Address: 

        FAX #: 

email address: 
--
Andrew Thomas - President, Sakura Software Inc.
Watch for SCADALisp - Real-time control and UI language for QNX/UNIX
For information, email andrewt@io.org

From owner-molec-model@net.bio.net Fri Apr 14 23:00:00 1995
Path: biosci!biosci!not-for-mail
From: Reece Kimball Hart <reece@dasher.wustl.edu>
Newsgroups: bionet.biology.computational,bionet.biophysics,bionet.molec-model,bionet.announce
Subject: WWW SITE: Washington University in St. Louis
Date: 14 Apr 1995 17:54:04 -0700
Organization: Washington University School of Medicine
Lines: 17
Sender: biohelp@net.bio.net
Approved: comp-bio-moderator@net.bio.net
Distribution: world
Message-ID: <Pine.SGI.3.91.950412150006.12484A-100000@dasher.wustl.edu>
NNTP-Posting-Host: net.bio.net
Xref: biosci bionet.biology.computational:609 bionet.biophysics:859 bionet.molec-model:321 bionet.announce:1999

There is a new WWW Site for the Department of Biochemistry and
Molecular Biophysics at Washington University School of Medicine in
St. Louis. The URL is

  http://bmb.wustl.edu/

The site includes documents regarding the the department's members and
their research interests, the graduate program, and research
facilities.  A variety of other documents pertaining to the program
are planned for the near future.

-- Reece
Reece Kimball Hart                  | Internet: reece@dasher.wustl.edu
Biophysics & Biochemistry, Box 8231 | WWW URL:  http://dasher.wustl.edu/~reece
Washington Univ. School of Medicine | Phone:    (314) 362-4198 (lab)
660 South Euclid                    |                    -7183 (fax)
St. Louis, Missouri  63110    (USA) | PGP public key available by finger & WWW

From owner-molec-model@net.bio.net Sun Apr 16 23:00:00 1995
Path: biosci!biosci!not-for-mail
From: reece@dasher.wustl.edu (Reece Hart)
Newsgroups: bionet.biophysics,bionet.biology.computational,bionet.molec-model,bionet.announce
Subject: WWW SITE: Washington University in St. Louis
Date: 16 Apr 1995 20:27:35 -0700
Organization: Washington University School of Medicine
Lines: 17
Sender: biohelp@net.bio.net
Approved: bionews-moderator@net.bio.net
Distribution: world
Message-ID: <3mrdpk$39u@cerberus-138.wustl.edu>
NNTP-Posting-Host: net.bio.net
Xref: biosci bionet.biophysics:866 bionet.biology.computational:610 bionet.molec-model:322 bionet.announce:2001

There is a new WWW Site for the Department of Biochemistry and
Molecular Biophysics at Washington University School of Medicine in
St. Louis. The URL is

  http://bmb.wustl.edu/

The site includes documents regarding the the department's members and
their research interests, the graduate program, and research
facilities.  A variety of other documents pertaining to the program
are planned for the near future.

--
Reece Kimball Hart                  | Internet: reece@dasher.wustl.edu
Biophysics & Biochemistry, Box 8231 | WWW URL:  http://dasher.wustl.edu/~reece
Washington Univ. School of Medicine | Phone:    (314) 362-4198 (lab)
660 South Euclid                    |                    -7183 (fax)
St. Louis, Missouri  63110    (USA) | PGP public key available by finger & WWW

From owner-molec-model@net.bio.net Mon Apr 17 23:00:00 1995
Path: biosci!bloom-beacon.mit.edu!senator-bedfellow.mit.edu!athena.mit.edu!cloutier
From: cloutier@athena.mit.edu (Normand J Cloutier)
Newsgroups: bionet.molec-model
Subject: Would like opinion on Molec. Mod. Book
Date: 18 Apr 1995 01:16:59 GMT
Organization: Massachusetts Institute of Technology
Lines: 28
Distribution: world
Message-ID: <3mv3ub$43g@senator-bedfellow.MIT.EDU>
NNTP-Posting-Host: m16-034-16.mit.edu

Recently, I received a advertisement from the American
Chemical Society for some of their publications.  The ad
for one of the books (which seems interesting to me) is given
below.  Since the book is not cheap, I would like to know
whether anyone has seen this book and has anything to say
about whether it is worth getting.  While on the topic of
molecular modelling books, are there any other texts which
offer an introductory overview of the field.  Any advice 
would be appreciated.  Thanks in advance.

Normand Cloutier
cloutier@mit.edu

The ad:

_Molecular Modeling:  From Virtual Tools to Real Problems_
Thomas F. Kumosinski and Michael N. Liebman, Editors
ACS Symposium Series No. 576, 522 pages (1994)  $119.95
Clothbound,  ISBN 0-8412-3042-0
- Provides comprehensive theoretical and experimental methods
- from molecular modeling of bioactive systems.  Includes a 
- comprehensive review of the scope and utility of the past and 
- present broad array of molecular modeling techniques.  Provides
- detailed experimental studies to be used in conjunction with
- molecular modeling to develop structure-function relationships.
- Examines the forces involved in protein structure and the 
- interaction of these forces with cosolutes of biological and 
- industrial interest.

From owner-molec-model@net.bio.net Mon Apr 17 23:00:00 1995
Path: biosci!WUCMD.WUSTL.EDU!stuart
From: stuart@WUCMD.WUSTL.EDU (Stuart Green)
Newsgroups: bionet.molec-model
Subject: Journal of Computer-Aided Molecular Design
Date: 18 Apr 1995 08:34:38 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 21
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <Pine.3.07.9504180938.A15377-a100000@wucmd>
NNTP-Posting-Host: net.bio.net


ESCOM Publishers B.V. in collaboration with the Center for Molecular
Design present an experimental Web based version of the The Journal of
Computer-Aided Molecular Design.

http://wucmd.wustl.edu/jcamd/jcamd.html

This server carries complete articles (equations, text and figures all
included) from Volume 9 Number 1 (February 1995), Number 2 coming soon.

We welcome your feedback regarding the presentation of such media on WWW. 
Any thoughts or comments please email jcamd@wucmd.wustl.edu

---
Stuart M. Green                                 stuart@wucmd.wustl.edu
Center for Molecular Design
Campus Box 1099
Washington University                           Tel 314-935-4671
St. Louis, MO 63130-4899                        Fax 314-935-4979



From owner-molec-model@net.bio.net Tue Apr 18 23:00:00 1995
Path: biosci!biosci!not-for-mail
From: "Alexander J. Ropelewski" <ar1z+@andrew.cmu.edu>
Newsgroups: bionet.molec-model,bionet.molbio.proteins,bionet.cellbiol,bionet.molbio.embldatabank,bionet.molbio.genbank,bionet.molbio.evolution,bionet.announce
Subject: CCL:Sequence Analysis Workshop
Date: 18 Apr 1995 17:59:59 -0700
Organization: Pittsburgh Supercomputing Center, Carnegie Mellon, Pittsburgh, PA
Lines: 113
Sender: biohelp@net.bio.net
Approved: bionews-moderator@net.bio.net
Distribution: world
Message-ID: <0jZ0xSS00WB7FWtlVg@andrew.cmu.edu>
NNTP-Posting-Host: net.bio.net
Xref: biosci bionet.molec-model:325 bionet.molbio.proteins:4323 bionet.cellbiol:2099 bionet.molbio.embldatabank:493 bionet.molbio.genbank:2010 bionet.molbio.evolution:2702 bionet.announce:2005

                   NUCLEIC ACID AND PROTEIN SEQUENCE ANALYSIS
                       WORKSHOP FOR BIOMEDICAL RESEARCHERS
                              Pittsburgh, Pennsylvania
                              June 4-9, 1995



Pittsburgh Supercomputing Center (PSC) is again offering a five-day workshop on
"Nucleic Acid and Protein Sequence Analysis," June 4-9, 1995.  It is
funded by a grant from the National Center for Human Genome Research of
the National Institutes of Health.

The workshop will familiarize biomedical researchers
in applying supercomputing resources to
problems of concern in macromolecular sequence analysis.  Emphasis will be
on alignment of and pattern extraction from multiple sequences.
Participants will gain practical experience on PSC's Cray C-90 and T3D in
(1) comparing and aligning sequences, (2) identifying informative patterns
in a set of sequences; and (3) using extracted informative patterns to
identify related sequences.  Researchers will also learn several approaches
to database searching and  multiple sequence alignment, how to use profile
analysis effectively, and how to identify patterns in their sequences.
Participants are encouraged to bring sequence analysis problems from their
current research.  Extensive documentation will be given at the outset on
the PSC computing environment as well as on the specific programs
to be employed in the workshop.  No prior supercomputing experience is
required.

Workshop leaders are Dr. Gary Churchill, Cornell University, Dr. Michael
Gribskov, San Diego Supercomputing Center, and Dr. Hugh Nicholas, PSC.

A limited number of grants to cover travel and hotel accommodations are
available for U.S. academic participants.  ALL PARTICIPANTS ARE REQUIRED
TO PAY A $135 REGISTRATION FEE, IN ADVANCE, UPON ACCEPTANCE INTO THE WORKSHOP.

DEADLINE FOR SUBMITTING APPLICATIONS IS FRIDAY, APRIL 21, 1995.
Enrollment is lmited to 20 participants.

Additional information about this workshop can be found in
http://pscinfo.psc.edu/biomed/workshops95.html




                                      * * * * *



                     PITTSBURGH SUPERCOMPUTING CENTER
                     NUCLEIC ACID AND PROTEIN SEQUENCE ANALYSIS
                     WORKSHOP FOR BIOMEDICAL RESEARCHERS
                               June 4-9, 1995

                               APPLICATION


Name:          ________________________________________________________________

Affiliation:   ________________________________________________________________

Address:       ________________________________________________________________
               (Business)
               ________________________________________________________________

               ________________________________________________________________
               (Home)
               ________________________________________________________________

Telephone:  ____________________________         ______________________________
                   (Business)                                (Home)

*Social Security Number:  _______-_____-_______ Citizenship:___________________

Electronic Mail Address:_______________________________________________________

Status: ___Graduate  ___Post-doctoral Fellow  ___Faculty  ___Other (specify)

In order to attend the workshop, will you need funds for travel?___ lodging?___

Please indicate specifically any special housing, transportation or dietary
arrangements you will need: __________________________________________

How did you learn about this workshop:_________________________________________

REQUIREMENTS:

Applicants must submit a completed application form and a cover letter.  The
letter should describe, in one or two paragraphs, the sequence analysis
problems encountered in your research, and how participating in the workshop
will enhance this research.  Please include a brief statement describing your
level of experience with computers.  Faculty members, staff and post-docs
should provide a curriculum vita.  Graduate students must have a letter
of recommendation from a faculty member. If you have requested travel funds,
please include the cost of roundtrip air fare from your home to Pittsburgh and
indicate the amount of travel funds you will need. ALL PARTICIPANTS WILL BE
REQUIRED TO PAY A $135 ADVANCE REGISTRATION FEE UPON ACCEPTANCE INTO THE
WORKSHOP.

Please return all application materials by APRIL 21, 1995 to:



          Biomedical Workshop Applications Committee
          Pittsburgh Supercomputing Center
          4400 Fifth Avenue, Suite 230C
          Pittsburgh, PA 15213

Direct inquiries to: Nancy Blankenstein, blankens@psc.edu or 412/268-4960.

*Disclosure of Social Security Number is voluntary.

PSC does not discriminate on the basis of race, color, religion, sex, age,
creed, national or ethnic origin, or handicap.

From owner-molec-model@net.bio.net Tue Apr 18 23:00:00 1995
Path: biosci!adam.cc.sunysb.edu!news.sprintlink.net!pipex!uunet!in1.uu.net!news.nyc.pipeline.com!news.intercon.com!udel!ssnet.com!dmpcfc!David_H._Rominger
From: David_H._Rominger@dmpcfc.com (David H. Rominger)
Reply-To: David_H._Rominger@dmpcfc.com
Newsgroups: bionet.molec-model
Distribution: world
Subject: Protein textbook
Date: 19 Apr 1995 07:39:42 GMT
Message-ID: <4261736446.81099551@dmpcfc.com>
Organization: DMPC.PCS
Lines: 16

Hello,

Is anyone familiar with the book " The Structure and Action of Proteins" by:
Dickerson and Geis?
It has a copywrite of 1969. Is there a more current edition? Or, is there a
better more up-to-date book with a similar coverage of this material. In
other words a comparable or superior text that is current.

Dave



-------------------------------------------------------------------------
  All comments/opinions in this message are solely those of the sender, 
        and do not necessarily reflect the views of the employer.       
-------------------------------------------------------------------------

From owner-molec-model@net.bio.net Wed Apr 19 23:00:00 1995
Path: biosci!biosci!not-for-mail
From: "Alexander J. Ropelewski" <ar1z+@andrew.cmu.edu>
Newsgroups: bionet.announce,bionet.molec-model,bionet.molbio.proteins,bionet.cellbiol
Subject: CCL:Methods of Molecular Mechanics and Dynamics of Biopolymers workshop
Date: 19 Apr 1995 19:21:33 -0700
Organization: Pittsburgh Supercomputing Center, Carnegie Mellon, Pittsburgh, PA
Lines: 107
Sender: biohelp@net.bio.net
Approved: bionews-moderator@net.bio.net
Distribution: world
Message-ID: <AjZLR4u00WB8ADHV1w@andrew.cmu.edu>
NNTP-Posting-Host: net.bio.net
Xref: biosci bionet.announce:2010 bionet.molec-model:327 bionet.molbio.proteins:4337 bionet.cellbiol:2108


"METHODS OF MOLECULAR MECHANICS AND DYNAMICS OF BIOPOLYMERS" WORKSHOP
                    Pittsburgh Supercomputing Center
                           August 16-19, 1995


The Pittsburgh Supercomputing Center (PSC) is hosting a workshop
on "Methods of Molecular Mechanics and Dynamics of Biopolymers,"
August 16-19, 1995.
The workshop will familiarize biomedical researchers with
computational methods and provide practice
in applying supercomputing resources to problems of concern in molecular
mechanics.  Practical experience on our supercomputers will be gained in
the application to:
(1) the theory and practice of molecular mechanics and dynamics;
(2) the development and refinement of molecular mechanics force fields;
(3) the problem of conformation mapping and analysis of polypeptide
structures, including the refinement of structure from measured NMR data;
and
(4) computation of interaction energies and free energies for protein-drug
interactions and conformational thermodynamics.

Workshop leaders are
Dr. Charles L. Brooks III, The Scripps Research Institute
and
Dr. Alexander D. MacKerell Jr., University of Maryland at Baltimore.

The worskhop will consist of lectures and extensive hands-on sessions.
General aspects of molecular mechanics software will be discussed and
a number of packages are available for use at the PSC.  However,
the programs CHARMM and QUANTA will be utilized most extensively in
demonstrations.  Hands-on sessions will be emphasized.
Participants will be able to work on the examples provided or
on their own experimental data.
No prior supercomputing experience is necessary.

This workshop is funded by a grant from the Biomedical Research Technology
Program, National Center for Research Resources, National Institutes of
Health.  TRAVEL, MEALS AND HOTEL ACCOMMODATIONS FOR RESEARCHERS AFFILIATED
WITH U.S. ACADEMIC INSTITUTIONS ARE SUPPORTED BY THIS GRANT.
Enrollment is limited to 20.  An application form is included.
Deadline for applications is: June 22, 1995.
Please direct inquires or send the following application form to
blankens@psc.edu.

Additional information about this workshop can be found in
http://pscinfo.psc.edu/biomed/workshops95.html



                         PITTSBURGH SUPERCOMPUTING CENTER
                         BIOMEDICAL  INITIATIVE
                         **************************************
                         August 16-19, 1995

                         APPLICATION


Name:________________________________________________________________________

Affiliation:_________________________________________________________________

Address:_____________________________________________________________________
                                  (Business)
_____________________________________________________________________________

____________________________________________________________________________
                                    (Home)
____________________________________________________________________________

Telephone:  ____________________              ______________________
                (Business)                            (Home)

*Social Security Number:  _______-_____-_______    Citizenship: ____________

Electronic Mail Address:____________________________________________________

Status: ___Graduate  ___Post-doctoral Fellow  ___Faculty  ___Other (specify)

Please indicate specifically any special housing, transportation or dietary
arrangements you will need:  _______________________________________________

How did you learn about this workshop? _____________________________________


REQUIREMENTS:

Applicants must submit a completed application form and a cover letter. The
letter should describe, in one or two paragraphs, your current research and
how participating in the workshop will enhance this research.  Please
include a brief statement describing your level of experience with computers.
Faculty members, staff and post-docs should provide a curriculum vita.
Graduate students must have a letter of recommendation from a faculty member.

Please return all application materials by June 22, 1995 to:

          Biomedical Workshop Applications Committee
          Pittsburgh Supercomputing Center
          4400 Fifth Avenue, Suite 230C
          Pittsburgh, PA 15213

Direct inquiries to: Nancy Blankenstein, blankens@psc.edu or 412/268-4960.

*Disclosure of Social Security Number is voluntary.

PSC does not discriminate on the basis of race, color, religion, sex, age,
creed, national or ethnic origin, or handicap.

From owner-molec-model@net.bio.net Wed Apr 19 23:00:00 1995
Newsgroups: bionet.molec-model
Path: biosci!ns1.faseb.org!darwin.sura.net!nih-csl!rvenable
From: rvenable@deimos.cber.nih.gov (Rick Venable)
Subject: Re: Protein textbook
Message-ID: <1995Apr20.040311.19906@alw.nih.gov>
Sender: postman@alw.nih.gov (AMDS Postmaster)
Nntp-Posting-Host: deimos.cber.nih.gov
Organization: FDA/CBER Biophysics Lab
X-Newsreader: TIN [version 1.2 PL2]
References: <4261736446.81099551@dmpcfc.com>
Date: Thu, 20 Apr 1995 04:03:11 GMT
Lines: 16

On 19 Apr 1995 07:39:42 GMT David H. Rominger pontificated:
> Is anyone familiar with the book " The Structure and Action of Proteins" by:
> Dickerson and Geis?
> It has a copywrite of 1969. Is there a more current edition? Or, is there a
> better more up-to-date book with a similar coverage of this material. In
> other words a comparable or superior text that is current.

I've gone thru Dickerson and Geis a couple times in the past, and I think a
suitable more up to date replacement is a similar book by Branden and Toose
(I hope I've spelled the names correctly).

--
Rick Venable                  =====\     |=|    "Eschew Obfuscation"
FDA/CBER Biophysics Lab       |____/     |=|
Bethesda, MD  U.S.A.          |   \  /   |=|  / Not an official statement \
rvenable@deimos.cber.nih.gov       \/    |=|  \  or position of the FDA.  /

From owner-molec-model@net.bio.net Wed Apr 19 23:00:00 1995
Path: biosci!bloom-beacon.mit.edu!gatech!swrinde!pipex!oleane!jussieu.fr!univ-lyon1.fr!swidir.switch.ch!scsing.switch.ch!elna.ethz.ch!igc.chem!ana
From: ana@igc.chem.ethz.ch (Alain Nanzer)
Newsgroups: bionet.molec-model
Subject: Re: Protein textbook
Date: 20 Apr 1995 10:54:49 GMT
Organization: Computational Chemistry, ETH, Zuerich
Lines: 12
Sender: ana@sylvaner (Alain Nanzer)
Message-ID: <3n5ehp$m69@elna.ethz.ch>
References: <4261736446.81099551@dmpcfc.com> <1995Apr20.040311.19906@alw.nih.gov>
NNTP-Posting-Host: sylvaner.ethz.ch



Not bad is:

>> Introduction to Protein Structure

by Carl Branden and John Tooze
   Garland Publishing, Inc.
   New York and London, 1991
   ISBN 0-8153-0344-0

-alain

From owner-molec-model@net.bio.net Thu Apr 20 23:00:00 1995
Path: biosci!agate!news.mindlink.net!news.bc.net!unixg.ubc.ca!laue.biochem.ubc.ca!ywchen
From: ywchen@laue.biochem.ubc.ca (Y. W. Chen)
Newsgroups: bionet.molec-model
Subject: protein-protein docking program?
Date: 21 Apr 1995 16:27:33 GMT
Organization: University of British Columbia, Vancouver, B.C., Canada
Lines: 17
Distribution: world
Message-ID: <3n8mdl$8j1@nntp.ucs.ubc.ca>
NNTP-Posting-Host: laue.biochem.ubc.ca

Dear all,

I am studying the interaction of a protein enzyme with a protein substrate.
From mutation studies, I know roughly which region of the enzyme interacts
with which region of the substrate.  Can someone recommend a program to 
predict the docking of these 2 proteins?  It would be best if the results 
can be visualized graphically.  Thanks

-- 
===================================================================
Yu Wai CHEN                          Department of Biochemistry
.................................             & Molecular Biology
                                     Faculty of Medicine
  tel: (604)-822 5007                2146 Health Sciences Mall
  fax: (604)-822 5227                University of British Columbia
email: ywchen@laue.biochem.ubc.ca    Vancouver BC  V6T 1Z3   CANADA
===================================================================

From owner-molec-model@net.bio.net Thu Apr 20 23:00:00 1995
Path: biosci!agate!howland.reston.ans.net!swrinde!gatech!newsfeed.pitt.edu!dsinc!ub!csn!magnus.acs.ohio-state.edu!infoserver.bgsu.edu!m32-109.bgsu.edu!user
From: mikeh@bgnet.bgsu.edu (Michael A. Halbisen)
Newsgroups: bionet.molec-model
Subject: looking for grad school in Biotech
Date: Fri, 21 Apr 1995 12:13:05 -0500
Organization: Bowling Green State University
Lines: 14
Message-ID: <mikeh-2104951213050001@m32-109.bgsu.edu>
NNTP-Posting-Host: m32-109.bgsu.edu


Hi,
   I'm currently a junior chemistry major who is looking to apply to grad
school this fall.  However, I've been encountering some difficulty finding
information on which schools have good Biotechnology programs. If anyone
has some suggestions on a good grad school (for Ph.D) for Biotechnology,
please let me know.  I am mostly interested in projects that involve using
molecular biology to genetically engeneer microbes to produce ( or do )
new things, such as making oil eating bacteria (as opposed to
pharmacology).  Any and all suggestions will be appreciated.

                       
                                  Michael A. Halbisen
                                  mikeh@bgnet.bgsu.edu

From owner-molec-model@net.bio.net Fri Apr 21 23:00:00 1995
Path: biosci!bloom-beacon.mit.edu!gatech!howland.reston.ans.net!vixen.cso.uiuc.edu!uwm.edu!reuter.cse.ogi.edu!netnews.nwnet.net!news.u.washington.edu!NewsWatcher!user
From: coventry@chem.washington.edu (Mary Coventry)
Newsgroups: bionet.molec-model
Subject: Re: protein-protein docking program?
Date: 22 Apr 1995 04:23:51 GMT
Organization: UW
Lines: 16
Distribution: world
Message-ID: <coventry-2104952020050001@128.95.172.173>
References: <3n8mdl$8j1@nntp.ucs.ubc.ca>
NNTP-Posting-Host: nntp1.u.washington.edu

In article <3n8mdl$8j1@nntp.ucs.ubc.ca>, ywchen@laue.biochem.ubc.ca (Y. W.
Chen) wrote:

> Dear all,
> 
> I am studying the interaction of a protein enzyme with a protein substrate.
> From mutation studies, I know roughly which region of the enzyme interacts
> with which region of the substrate.  Can someone recommend a program to 
> predict the docking of these 2 proteins?  It would be best if the results 
> can be visualized graphically.  Thanks
> 
Well, it depends on does anybody solved (by X-ray or NMR) the 3-D
structures of the wild-type or mutated enzymes of interest or not. If yes,
there're some prospects but if not, you should satisfied yourself with
primitive cartoons. :-<
Cheers,  Oleg Y. Fedoroff.

From owner-molec-model@net.bio.net Mon Apr 24 23:00:00 1995
Path: biosci!SCRI.FSU.EDU!STRELETS
From: STRELETS@SCRI.FSU.EDU ("VICTOR B. STRELETS")
Newsgroups: bionet.molec-model
Subject: Searching for proteins with structures on final stages of refinement
Date: 25 Apr 1995 07:46:50 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 26
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <950425104641.20409f46@scri.fsu.edu>
NNTP-Posting-Host: net.bio.net

Hi Netters,

I'm finishing development of the new algorithm for the prediction
of protein secondary structure. Method does not use information
from multiple alignments and/or data structure probing experiments.
It will be installed soon (in 1-2 weeks) as an e-mail server for open
access, for a limited time until improved structure organization model
will be finally refined to achieve maximal efficacy of this approach.

Accuracy of the method appeared to be unexpectedly high and I would
like to find possibilities to use references from experimentalists about
structures which are in final stages of refinement to choose corresponding
sequences as an prediction illustration in my publication. I don't need
any info about structures itself and my interests are limited to aminoacid
sequences (or references to PIR or SwissProt) only. Is there anybody who
is ready to give such a reference(s)? And probably to discuss later
results in comparison with real structure elements placement?

I saw (twice) announcements about competition in the prediction of
secondary structures for just refined (but still not bublished)
structures. In principle this is same effort turned en mass. Could
someone give me reference how to reach its organizers?

Hope to hear from somebody,

V. Strelets

From owner-molec-model@net.bio.net Tue Apr 25 23:00:00 1995
Newsgroups: bionet.molbio.proteins,bionet.molec-model
Path: biosci!ns1.faseb.org!darwin.sura.net!nih-csl!rvenable
From: rvenable@deimos.cber.nih.gov (Rick Venable)
Subject: Re: Contacts for Molecules R Us? 
Message-ID: <1995Apr26.225503.23547@alw.nih.gov>
Followup-To: bionet.molbio.proteins,bionet.molec-model
Sender: postman@alw.nih.gov (AMDS Postmaster)
Nntp-Posting-Host: deimos.cber.nih.gov
Organization: FDA/CBER Biophysics Lab
X-Newsreader: TIN [version 1.2 PL2]
References: <95Apr25.214557edt.859@neuron.ai.toronto.edu>
Date: Wed, 26 Apr 1995 22:55:03 GMT
Lines: 32
Xref: biosci bionet.molbio.proteins:4397 bionet.molec-model:339

On 26 Apr 95 01:46:53 GMT Evan W. Steeg pontificated:
>   Although I greatly enjoy the NIH "Molecules R Us" web site,
> I have some questions/comments for the people who run it,
> and there is NO information given anywhere on the www pages
> there as to whom I might contact.  (That's quite odd -- almost
> every site I have ever seen has many listings of the designers,
> programmers, support personnel, etc.)

The information is there, just not on every .html page.  In particular,
the "Molecules R Us" page is restricted to NIH only, and is a fill-in
form for searching the Cambridge Crystal Data Bank (a commercial database).

>   If anybody knows whom I might contact about their service,
> could you please let me know (NIH is a *big* organization :-)

Indeed it is.  The molecular modeling pages are maintained by
Dr. Peter Fitzgerald, pcf@helix.nih.gov

>   (By the way, that web site is at
>  
>    http://www.nih.gov/htbin/pdb  )
>
>        Evan

I'd recommend starting at the top, e.g.   http://www.nih.gov
or perhaps   http://www.nih.gov/molecular_modeling/mmhome.html

--
Rick Venable                  =====\     |=|    "Eschew Obfuscation"
FDA/CBER Biophysics Lab       |____/     |=|
Bethesda, MD  U.S.A.          |   \  /   |=|  / Not an official statement \
rvenable@deimos.cber.nih.gov       \/    |=|  \  or position of the FDA.  /

From owner-molec-model@net.bio.net Tue Apr 25 23:00:00 1995
Path: biosci!WUCMD.WUSTL.EDU!stuart
From: stuart@WUCMD.WUSTL.EDU (Stuart Green)
Newsgroups: bionet.molec-model
Subject: Tripos User Group Meeting May 24-26 1995
Date: 26 Apr 1995 14:49:55 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 14
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <Pine.3.07.9504261450.A15587-9100000@wucmd>
NNTP-Posting-Host: net.bio.net

The 1995 Tripos User Group Meeting takes place May 24-26 at the Ritz
Carlton in St. Louis, U.S.A.

Details of the meeting including agenda, abstracts, and registration
information can be found at http://wucmd.wustl.edu/tug95/meeting.html

---
Stuart M. Green                                 stuart@wucmd.wustl.edu
Center for Molecular Design
Campus Box 1099
Washington University                           Tel 314-935-4671
St. Louis, MO 63130-4899                        Fax 314-935-4979



From owner-molec-model@net.bio.net Tue Apr 25 23:00:00 1995
Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!gatech!udel!ssnet.com!dmpcfc!David_H._Rominger
From: David_H._Rominger@dmpcfc.com (David H. Rominger)
Reply-To: David_H._Rominger@dmpcfc.com
Newsgroups: bionet.molec-model
Distribution: world
Subject: Helical Wheels
Date: 26 Apr 1995 09:49:14 GMT
Message-ID: <206827486.117948458@dmpcfc.com>
Organization: DMPC.PCS
Lines: 14

Does anyone know of a program that will create helical wheels in color
display? i know that a program GenWroks displays helical nets and that GCG
also creates them, but not in color. Are there any other programs available.
we are trying to examine the spanning domains of some GPCR's that are
putatively Alpha-helices embeded in the membrane.

Thanks Dave



-------------------------------------------------------------------------
  All comments/opinions in this message are solely those of the sender, 
        and do not necessarily reflect the views of the employer.       
-------------------------------------------------------------------------

From owner-molec-model@net.bio.net Tue Apr 25 23:00:00 1995
Path: biosci!rutgers!uwm.edu!vixen.cso.uiuc.edu!howland.reston.ans.net!swrinde!pipex!sunic!sunic.sunet.se!trane.uninett.no!news.uit.no!atf1!edvard
From: edvard@atf1.uit.no (Oyvind Edvardsen)
Newsgroups: bionet.molec-model
Subject: Re: protein-protein docking program?
Date: 26 Apr 1995 09:36:30 GMT
Organization: University of Tromsoe, Norway
Lines: 34
Distribution: bionet
Message-ID: <3nl46u$pr5@news.uit.no>
References: <D7MEu8.68v@cnn.nas.nasa.gov>
Reply-To: edvard@atf1.uit.no
NNTP-Posting-Host: atf1.fagmed.uit.no


>From bross@splatter.nas.nasa.gov (Bill Ross)
>Subject: Re: protein-protein docking program?
>Date: Wed, 26 Apr 1995 02:27:44 GMT
>
>> I am studying the interaction of a protein enzyme with a protein substrate.
>> From mutation studies, I know roughly which region of the enzyme interacts
>> with which region of the substrate.  Can someone recommend a program to 
>> predict the docking of these 2 proteins?  It would be best if the results 
>> can be visualized graphically.  Thanks
>
>Look in J. Comp. Chem. for papers on Molecular Silverware by
>folks at Rohm & Haas.
>
>Bill Ross

Molecular Silverware is described by Blanco, M. in
J.Comput.Chem. 12(2)237-47 (1991).

-oed.

-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-
___                    _                     
| /|              _|  |_  _|     __   _  _|  _  _
|/_| \/ \/ | |\| |_|  |_ |_| \/ |_|_ |  |_| _\ |_' |\|
     /
_____________________________________________________________________________
Dept. of Pharmacology, IMB       |         
University of Tromsoe            |  TelePhone: +47 77 64 53 42
MH, Breivika                     |  TeleFax: +47 77 64 53 10
N-9037 TROMSOE                   |  Email: edvard@fagmed.uit.no
NORWAY                           |  URL: http://atf1.fagmed.uit.no/mgl.html
------------------------------------------------------------------------------


From owner-molec-model@net.bio.net Tue Apr 25 23:00:00 1995
Newsgroups: bionet.molec-model
Path: biosci!rutgers!uwm.edu!fnnews.fnal.gov!overload.lbl.gov!ames!cnn.nas.nasa.gov!splatter.nas.nasa.gov!bross
From: bross@splatter.nas.nasa.gov (Bill Ross)
Subject: Re: protein-protein docking program?
Message-ID: <D7MEu8.68v@cnn.nas.nasa.gov>
Sender: news@cnn.nas.nasa.gov (News Administrator)
Nntp-Posting-Host: splatter.nas.nasa.gov
Organization: NAS/NASA Ames Research Center
References: <3n8mdl$8j1@nntp.ucs.ubc.ca> <coventry-2104952020050001@128.95.172.173>
Date: Wed, 26 Apr 1995 02:27:44 GMT
Lines: 10

> I am studying the interaction of a protein enzyme with a protein substrate.
> From mutation studies, I know roughly which region of the enzyme interacts
> with which region of the substrate.  Can someone recommend a program to 
> predict the docking of these 2 proteins?  It would be best if the results 
> can be visualized graphically.  Thanks
 
Look in J. Comp. Chem. for papers on Molecular Silverware by
folks at Rohm & Haas.

Bill Ross

From owner-molec-model@net.bio.net Tue Apr 25 23:00:00 1995
Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!news.cac.psu.edu!news.pop.psu.edu!hudson.lm.com!newsfeed.pitt.edu!uunet!utcsri!yonge.cs.toronto.edu!neuron.ai.toronto.edu!ai.toronto.edu!steeg
Newsgroups: bionet.molbio.proteins,bionet.molec-model
From: steeg@cs.toronto.edu ("Evan W. Steeg")
Subject: Contacts for Molecules R Us? 
X-Nntp-Posting-Host: yonge.cs.toronto.edu
Message-ID: <95Apr25.214557edt.859@neuron.ai.toronto.edu>
Originator: root@yonge.cs.toronto.edu
Organization: CS Lab, University of Toronto
Date: 26 Apr 95 01:46:53 GMT
Lines: 23
Xref: biosci bionet.molbio.proteins:4384 bionet.molec-model:334

  Although I greatly enjoy the NIH "Molecules R Us" web site,
I have some questions/comments for the people who run it,
and there is NO information given anywhere on the www pages
there as to whom I might contact.  (That's quite odd -- almost
every site I have ever seen has many listings of the designers,
programmers, support personnel, etc.)

  If anybody knows whom I might contact about their service,
could you please let me know (NIH is a *big* organization :-)

  (By the way, that web site is at
 
   http://www.nih.gov/htbin/pdb  )

  Thanks,

       Evan

Evan W. Steeg (416) 978-5182              steeg@ai.toronto.edu
Dept of Computer Science                  steeg@t13.lanl.gov
University of Toronto,
Toronto, Canada M5S 1A4                   FAX:  (416) 978-1455


From owner-molec-model@net.bio.net Thu Apr 27 23:00:00 1995
Path: biosci!SCRI.FSU.EDU!STRELETS
From: STRELETS@SCRI.FSU.EDU ("VICTOR B. STRELETS")
Newsgroups: bionet.molec-model
Subject: Announcement: Protein Secondary Structure Prediction E-mail Server
Date: 28 Apr 1995 13:07:38 -0700
Organization: BIOSCI International Newsgroups for Molecular Biology
Lines: 57
Sender: daemon@net.bio.net
Distribution: world
Message-ID: <950428160727.2040ad67@scri.fsu.edu>
NNTP-Posting-Host: net.bio.net

Server Help File

   	Prediction of Protein Secondary Structure
	-----------------------------------------
   
   For a limited time, test version of the new algorithm for the prediction
of protein secondary structure will be available through the E-mail server.
Algorithm does not use multiple alignments or other homology/evolutionary
related information and does not implement neural network techniques. It
was designed primarily to handle predictions for the proteins which do not 
have any significant homology with proteins currently available in PDB.

   To access the server, send e-mail message containing amino acid sequence 
of your protein to the address 
		
		bio@margit.scri.fsu.edu

   Message should contain:
   
1. Context -SSP- (Secondary Structure Prediction) in the Subject Line;
2. String -#START- immediately preceeding strings with amino acid sequence;
3. Strings with amino acid sequence;
4. String -#END- immediately following strings with amino acid sequence;
5. No non-aminoacid symbols (except of possible formatting blanks and digits) 
   in the strings between #START and #END strings.
   
   Example of message body:

---------------------------- example start ------------------------------
#START
	 PKPIFREYIGVKPNSTTLHD FPTEIINTET LEFHYILGFA IESYYESGKG TGTFEESWDV
	 ELFGPEKVKN L K R R H P EVKV VISIGGRGVN TPF
#END
----------------------------- example end -------------------------------

   Server is VERY experimental, but I hope that all incoveniences might
be compensated by the high prediction accuracy. Installed on the server
model of the secondary structure organization will be updated in the process 
of ongoing model refinement. Prediction accuracy probably will increase, 
therefore update your results using latest model version. Due to the low
restart frequency of the server, delays up to 20 minutes in the return of 
results should be expected.

   Note that algorithm have a limited accuracy in analysis of short (less 
than 60aa) and artificial sequences (like polypeptides with highly biased 
amino acid composition and/or with artificial pseudo-regularities).

   For helpful comments, send messages to strelets@scri.fsu.edu.
   


                        Dr. Victor B.Strelets
                        Supercomputer Computations Research Institute
                        400 Science Center Library
                        FSU B-186, Tallahassee, FL 32306
                        Ph. (904) 644-6563
                        FAX (904) 644-0098 (Attn: Dr. Strelets)

From owner-molec-model@net.bio.net Thu Apr 27 23:00:00 1995
Path: biosci!rutgers!gatech!howland.reston.ans.net!news.sprintlink.net!alsys1!stonefly.bioc.aecom.yu.edu!puius
From: puius@telico.bioc.aecom.yu.edu (Yoram Puius)
Newsgroups: bionet.molec-model
Subject: 5'-CMP X-PLOR files
Message-ID: <3627@alsys1.aecom.yu.edu>
Date: 28 Apr 95 20:17:00 GMT
Sender: news@alsys1.aecom.yu.edu
Lines: 16
X-Nntp-Posting-Host: stonefly.bioc.aecom.yu.edu

Dear netters:
	Does anyone have the parameter and topology files
for cytidine 5'-monophosphate for X-PLOR?

	2'-CMP and/or 3'-CMP would also be greatly appreciated.

	Thanks muchly in advance,
				Yoram
_____________________________________________________________________________
Yoram A. Puius                            Albert Einstein College of Medicine
puius@telico.bioc.aecom.yu.edu            Department of Biochemistry
M.D.-Ph.D.    Class of 1999 [?]           Bronx, NY  10461
_____________________________________________________________________________
		"GOOD ta meetcha!"	- Neelix
_____________________________________________________________________________


From owner-molec-model@net.bio.net Thu Apr 27 23:00:00 1995
Path: biosci!adam.cc.sunysb.edu!news.sprintlink.net!howland.reston.ans.net!swrinde!pipex!uunet!juniper.almaden.ibm.com!almaden.ibm.com
From: borges@almaden.ibm.com
Message-ID: <19950427.091221.445@almaden.ibm.com>
Date: Thu, 27 Apr 95 09:05:01 PDT
Newsgroups: bionet.molec-model
Subject: international conf./molecular modeling/functional dyes/Santa Cruz, Cal
Lines: 48

3rd International Symposium on FUNCTIONAL DYES Sponsored by IUPAC & KCS

when: July 16-21,1995; where: University of California at Santa Cruz, USA

The symposium will be concerned with the following topics:

DESIGN OF FUNCTIONAL DYE MATERIALS
Novel materials, computer aided design, synthesis and structure,
characterization and reactions,

PROPERTIES, FUNCTIONS AND APPLICATIONS OF FUNCTIONAL DYES
information recording, information display, energy conversion, non-linear
optics, medical and biological aspects

Plenary Lectures
N Hampp(GER)-Functional Dyes from Nature: Potentials for technical applications
M Irie(JPN)-Photochromic Diarylethenes for Photonic Devices
GD Purvis(USA)-Computer Simulation of Dye absorption for Bench Chemists
E Voegel(GER)-Porphyrinoid Macrocycles: A cornucopia of novel chromophores
F Wudl(USA)-Photoinduced electron transfer from conjugated polymers to
funcitonalized Buckminsterfullerene: Interactions between two unusual dyes

***************************************************************************
COMPUTER AIDED DESIGN/invited lecturers:
S. Nakamura/A new guiding principle towards the special design of organic
functional molecules.
J. Rice/Ab intio MO calculation of organic NLO molecules
j McKelvey/A comparision of semi-empirical and ab intio dye structures and
related Zerner-INDOS/S Hue predictions
and more......
***************************************************************************
Invited Lectures
JC CRANO(USA), J DAUB((GER), J WHITESELL(USA), F GARNIER(FRANCE), N KARL(GER),
J KRUTAK(USA), C McARDLE(IRELAND), J McKELVEY(USA), S MIKI(JPN), JW MILEY(USA),
T NAGAMURA(JPN), S NAKAMURA(JPN), H OGOSHI(JPN), K OKAMOTO(JPN), AP DE SILVA
(USA), J RICE(USA), J SETO(JPN), H SUEMATSU(JPN), H VAN DEN BERGH(SWISS),
Y WANG(USA),

CONTRIBUTED PAPERS: will be included as oral and/or poster presentations.

DEADLINES: Contributed paper: May 15, 1995(extended)
           Advanced Registration: May 15, 1995(extended)

The 2nd circular is available from:
Dr. K. Kanazawa, General Secretary of the Symposium
IBM Research Division, Almaden Research Center
650 Harry Rd., K42/802, San Jose CA 95120-6099 USA
or fax:(+81)408-927-2213, or e-mail kanazawa@almaden.ibm.com

From owner-molec-model@net.bio.net Sun Apr 30 23:00:00 1995
Path: biosci!agate!howland.reston.ans.net!pipex!lyra.csx.cam.ac.uk!news
From: Tim Hubbard <th@mrc-lmb.cam.ac.uk>
Newsgroups: bionet.molbio.proteins,bionet.molec-model
Subject: Are you interested in a structure prediction of your favourite protein?
Date: 1 May 1995 14:20:56 GMT
Organization: Centre for Protein Engineering
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Are you working on a protein for which there is no X-ray or NMR 
structure at present (or likely soon) and would find even a rough 3-D 
structure useful?  Would you be interested in pursuading a group of 4 
people to work on your sequence night and day for a week this October?

We are looking for suitable candidate proteins as targets for the IRBM 
practical course: 'frontiers of protein structure prediction'.

If you are interested in your protein being considered as a target, 
please fill out the web form which can be found on the World Wide Web 
via:

http://www.mrc-cpe.cam.ac.uk/predict/

on-line forms to apply to attend the workshop can also be found at this 
address (see accompanying email)

Tim Hubbard, Anna Tramontano



