The Computers in Chemistry Division
Spring 1999 Newsletter

In This Issue


Statement from the Chair

Although I am new to the position of Chair for Comp, many of you know that I have been very active in COMP activities for a number of years. As such, I have seen, and been part of the transformation of the Division into a major focus at national ACS meetings. Now, in my tenure as Chair, I have the responsibility to ensure that this transformation continues. With new initiatives, both at the ACS level and within the Division, this is indeed an exciting time.

I would like to briefly highlight some of the major changes that will be occurring that will directly affect you as a COMP Division member. The biggest change will be the beginning of a web based abstract submission process. This feature is being beta tested with several smaller divisions for Anaheim, and will be implemented for all divisions for New Orleans (see the announcement in this newletter). Although COMP is not part of the beta testing (our program was considered too large for beta testing!), we were very active in convincing ACS to begin the project several years ago. A special thanks to Tim Mattson, Tom Pierce and Dom Ryan, all of which were part of the original or follow on efforts with ACS.


COMP Division Officers

Chair: George Famini (410)436-2552
Past Chair: Frank Brown
Chair Elect Results from 1998 Not Available
Secretary: Michelle Francl
Treasurer: Wally Reiher
Councilors: Peter Jurs, Peter Gund
Program Chair: Dominic Ryan


218th National ACS Meeting

New Orleans, August 22-26, 1999

If you are planning to submit an abstract for the New Orleans MeetingÉ

On March 8 ACS will open the door to the new on-line abstract submittal option. No more mailing it to make the deadline!

Yes, you can use graphics.

Yes, you can see what it looks like before you submit it. Yes, you will get immediate confirmation.

The electronic submission process will greatly facilitate the program creation process. As a former Program Chair, I can attest to the countless hours spent on typing in titles and authors. The new process will permit greatly reduce the time required by the Program Chair to do this, and will permit the Session Organizers to have a greater role in assembling their individual symposia.

There will be one disadvantage to the electronic submission process. Electronic abstracts will be cut off on the deadline published by COMP. This means it is essential that abstracts be submitted on or before the deadline. Abstracts may still be submitted via the "normal" abstract forms submittal process, either via electronic mail (to our Program Chair and/or Symposia Organizers) or via standard mail.

A second major change at the national level is the tremendous amount of information now available on the web. There are now two websites sponsored by ACS, and I encourage all COMP members to access both.

I would like to raise two final points in this article. One, the efforts underway at both the Divisional and the National levels are accomplished primarily through volunteer efforts. The Executive Committee last year had difficulty in identifying candidates for our 1998 elections. I urge anyone and everyone to become actively involved in COMP activities. If you find the COMP programming pertinent and useful, please realize it takes a major effort to make this work. Involvement can take a numb er of forms. First, Dom Ryan always has a need for symposium organizers. If you are interested, please contact Dom. He has several ideas that require organizers, and is always on the lookout for new ideas. Second, (and probably more important) in order for COMP to grow, we require new blood in the executive committee and executive management of the Division. I hope to establish two committees this year to address the future of the Division (i.e., where do we want to be in five years?). In addition, we will require a slate of officers for the next year. Third, we are in desperate need for a newsletter editor. The newsletter for COMP is typically published with the separates (thus saving mailing and printing costs), and can be as short or as detailed as you wish. This is yet another way for you to become involved. If you are interested in any of these, please contact me. Success of this Division is possible only through your (and my) active involvement.

Two, COMP can only continue to grow programmatically if it continues to grow in membership. I urge each and every one of you to contact you colleagues and encourage them to join COMP, if already an ACS member, or the ACS AND COMP if they are not.

George R. Famini
Chair, COMP


Journal of Molecular Graphics and Modelling
Becomes Publication of COMP

The leadership of the COMP division has long sought an arrangement for a journal tailored for its members. Last year the COMP Executive Committee made the decision to officially associate with the Journal of Molecular Graphics and Modelling (JMGM).

The committee selected Prof. Donald B. Boyd to be their editorial representative. In addition, Prof. Rod Hubbard (York, UK) continues serving as editorial representative of the Molecular Graphics and Modelling Society. These editors have set a new direction for the journal and appointed a new international editorial board.

The scope of the new JMGM encompasses:

  • molecular interactions
  • protein and polymer engineering
  • pharmaceutical design
  • materials design
  • applied theoretical chemistry
  • structure-property relationships
  • computer library design

Advantages of publishing in JMGM include free color figures, quick refereeing time, quick publication time, good citation impact, and both print and online versions.

High quality papers describing work at the cutting edge of computational chemistry are welcome. Instructions to authors are given at The online version of the journal is available from

Address papers to:
Dr. Donald B. Boyd
Editor, Journal of Molecular Graphics and Modelling
Department of Chemistry
Indiana University-Purdue University at Indianapolis
402 North Blackford Street
Indianapolis, Indiana 46202-3274, U.S.A.

Subscription Information

COMP members are eligible for a special subscription rate of only $65. (This is a significant savings over the regular rate of $249.)

JMGM is published by Elsevier. Subscription information is available from Elsevier Science, Customer Support Department, New York, NY 10159-0945. Tel. (toll-free in US) 888-437-4636, Fax 212-633-3680, E-mail Be sure to ask for your COMP discount.


ACS Division of Computers in Chemistry
Mission Statement

The mission of the Computers in Chemistry Division of the American Chemical Society is to promote all aspects of computers in chemistry through:

  1. providing a forum for academia, business, government, and industry to discuss and extend the impact of computer technology on all of chemistry;
  2. constituting an interface between chemistry and computer science, mathematics, statistics, and engineering;
  3. examining computer and computer-related systems in all areas of chemistry;
  4. promoting research at the frontiers of computer usage in chemistry;
  5. fostering interdisciplinary research by nurturing interactions with other disciplines, other Divisions of the American Chemical Society, and other societies.

(taken from approved Division Bylaws, 1995)



COMP is in desperate need for a Newsletter Editor. If you are interested please contact George Famini (, (410)436-2552).

The views and opinions expressed in this page are strictly those of the Division of Computers in Chemistry. The contents of this page have not been reviewed or approved by the American Chemical Society. Please address all comments and other feedback to the the COMP Division.