Computer Networking and Chemistry - ACS Publications

10

The

Impact o f a C o m p u t e r N e t w o r k o n College

Chemistry Departments—The Iowa Regional

Downloaded by EAST CAROLINA UNIV on January 2, 2018 | http://pubs.acs.org Publication Date: June 1, 1975 | doi: 10.1021/bk-1975-0019.ch010

Network WARREN T. ZEMKE Department of Chemistry, Wartburg College, Waverly, Ia. 50677 On the surface, the two main purposes for the existence of a regional computer network are (i) to provide large-scale computing capabilities for medium-sized institutions and (ii) to share in developing the use of instructional computing (1). The purpose of this paper is to examine the impact of these network goals from the perspective of the user (the remote institution or the "fingers of the hand") rather than the provider (the central computer facility or "palm of the hand"). Attention will be focused on the perspective of Departments of Chemistry at twelve of the thirteen remote institutions making up the Iowa Regional Network (officially entitled the Regional Computer Center, or RCC). There are numerous literature sources available for a broad, non-academic discipline approach to the many facets of networking such as financial considerations, hardware and data transmission considerations, network organization and cooperation, etc. (1-6). Two papers in this category which examine the Iowa Regional Network consider the mutual impact both on the central facility and the remote institutions; the author has used these papers as important background sources for this article (1,2). To bring our topic clearly into focus, let us couch i t in terms of two questions. To what extent can a network meet the needs of a Department of Chemistry of a remote institution? To what extent has the RCC met the needs of the Departments of Chemistry of its member institutions? After a brief resume of the RCC the paper will examine these needs. They will be divided into two parts, one dealing with the impact of increased hardware flexibility and user-services, and the other dealing with the past, present and future level of computing in the chemistry curriculum. The Regional Computer Center Iowa networking began in 1967 when the University of Iowa Computer Center established a telephone line link with two other neighboring institutions. In 1968, with substantial NSF support, the network expanded to eleven institutions: one junior college, 142 Lykos; Computer Networking and Chemistry ACS Symposium Series; American Chemical Society: Washington, DC, 1975.


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nine four-year c o l l e g e s , and a government i n s t a l l a t i o n . Although three of these o r i g i n a l i n s t i t u t i o n s l e f t the network, the t o t a l today stands at t h i r t e e n as l i s t e d i n Table I. This t a b l e summar i z e s general i n f o r m a t i o n about each of the RCC s c h o o l s . A comp l e t e d e s c r i p t i o n of the IBM 360/65 c o n f i g u r a t i o n , the palm of the hand l o c a t e d at the U n i v e r s i t y of Iowa at Iowa C i t y , can be found elsewhere (1). The RCC from the s t a r t has been more than j u s t an organizat i o n c o n s i s t i n g of f a c u l t y and students from the v a r i o u s i n s t i t u t i o n s , computer p r o f e s s i o n a l s r e s i d i n g at Iowa C i t y , and computer hardware/software and communications equipment. I t i s a dynamic e n t i t y wherein i t s members a s s i s t each other with t h e i r primary e f f o r t d i r e c t e d towards i n s t r u c t i o n . The RCC c e n t r a l s t a f f i n t e r faces with a campus Computer Coordinator at each i n s t i t u t i o n . The l o c a l Coordinator acts as manager of the l o c a l t e r m i n a l , o f f e r s short courses i n programming, provides in-house e x p e r t i s e on the use of the c e n t r a l f a c i l i t y and i t s d i v e r s e compilers, e t c . Of no l e s s s i g n i f i c a n c e , he a l s o dons the r o l e of "sparkplug" to e x c i t e l o c a l f a c u l t y and students to make f u r t h e r use of the whole computer f a c i l i t y and s e r v i c e s . The U n i v e r s i t y of Iowa Computer Center s t a f f maintains the hardware and systems on the IBM 360/65. The RCC c e n t r a l s t a f f l i n k s the c e n t r a l f a c i l i t y with the user i n s t i t u t i o n s to achieve maximum e f f e c t i v e n e s s i n u t i l i z a t i o n . Beyond the communications equipment t h i s means r e g u l a r "update" meetings with frequent ons i t e v i s i t s by the " c i r c u i t r i d e r s " to each i n s t i t u t i o n to respond more d i r e c t l y to p a r t i c u l a r i n s t i t u t i o n a l and f a c u l t y needs, and r e g u l a r network-wide workshops f o r the f a c u l t y of member i n s t i t u t i o n s . A v a i l a b l e to each member i n s t i t u t i o n i s access to a l l the languages and l i b r a r y program packages a v a i l a b l e l o c a l l y at Iowa City. In a d d i t i o n to FORTRAN, PL/I, COBOL, and ALGOL, these i n c l u d e the super-batch, i n - c o r e compilers WATFIV, WATBOL, PL/C, ASSEMBLER-G, and SPITBOL which are very f a s t and inexpensive to run. Notable i s the SPSS package and the P o l i t i c a l Science Department's S o c i a l Science Data A r c h i v e s . Also notable i s the s u b s t a n t i a l number of computer-based, c e r t i f i e d teaching modules i n the d i s c i p l i n e s of Business, Chemistry, Economics, Mathematics, P h y s i c s , and S o c i a l Science, a l l because of U n i v e r s i t y of Iowa p a r t i c i p a t i o n i n the CONDUIT experiment (7). A Smart Terminal or A Dumb Terminal? Table I i n c l u d e s a l i s t of the a c t u a l t e r m i n a l hardware as w e l l as i n s t i t u t i o n a l data. The Mason C i t y School D i s t r i c t w i l l be excluded from a l l f u r t h e r c o n s i d e r a t i o n i n t h i s study because i t concerns a h i g h school r a t h e r than a c o l l e g e system. Most of the schools have a "dumb" t e r m i n a l (one which can f u n c t i o n only as a t e r m i n a l to the c e n t r a l computer f a c i l i t y , such as an IBM 3780), but s e v e r a l have a "smart" terminal (one with stand-alone academic as w e l l as remote batch c a p a b i l i t y , such as an IBM 1130). For

Lykos; Computer Networking and Chemistry ACS Symposium Series; American Chemical Society: Washington, DC, 1975.

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Table I. The Iowa Regional Network Schools


School

Enrollment (Staff)

a

Terminal

Type

2100 (6)

IBM 360/20

Dumb

1300 (3)

IBM 1130

Smart

600 (3)

IBM 1130

Smart

1200 (5)

PDP 11/45

j Dumb

DATA 100-70

Dumb

1500 (4)

IBM 3780

Dumb

1000 (2)

DATA 100-70

Dumb

HP 2000F

Smart

IBM 3780

Dumb

1300 (3)

DCT 132

Dumb

1300 (3)

DATA 100-88

Dumb

8700 (10)

SPC 16

Dumb

1200 (4)

IBM 3780

Dumb

b

Augustana College Rock I s l a n d , IL C e n t r a l College P e l l a , IA Clarke College Dubuque, IA G r i n n e l l College G r i n n e l l , IA Iowa Wesleyan College Mt. Pleasant, IA Loras College Dubuque, IA Marycrest College Davenport, IA Mason C i t y School D i s t . Mason C i t y , IA Monmouth College Monmouth, IL Quincy College Quincy, IL St. Ambrose College Davenport, IL Univ. o f Northern Iowa Cedar F a l l s , IA Wartburg College Waverly, IA

600 (2)

e 700 (4)

a

c

a

A l l o f the schools l i s t e d are p r i v a t e l i b e r a l a r t s c o l l e g e s except the Mason C i t y p u b l i c school d i s t r i c t and the U n i v e r s i t y of Northern Iowa, a p u b l i c u n i v e r s i t y , k The number i n s i d e the parentheses i s the number o f s t a f f i n the Department o f Chemistry. Although i t might serve as a smart t e r m i n a l , f o r e s s e n t i a l l y a l l academic use Augustana has used i t s computer as a dumb t e r m i n a l . P r i o r to January 1975, G r i n n e l l had only an IBM 3780. Thus f o r the p e r i o d p e r t i n e n t to t h i s study, G r i n n e l l has only had a dumb t e r m i n a l . The Mason C i t y School D i s t r i c t w i l l be excluded from any a n a l y s i s s i n c e i t i s a high school r a t h e r than c o l l e g e system. The SPC 16 can emulate the IBM 360/20; to date i t has only been used as a dumb t e r m i n a l . c

d

e

f



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reasons given i n the footnotes of the t a b l e , a l l but two of the twelve schools i n t h i s study are considered to have dumb t e r m i n a l s . This c l a s s i f i c a t i o n assumes the reference p o i n t of usage to be academic years 1973-74 and 1974-75. Three sources of i n f o r m a t i o n were used to o b t a i n a measure of "chemistry computer a c t i v i t i e s " at the RCC s c h o o l s . F i r s t , RCC u s e r - s t a t i s t i c s from J u l y 1973 through A p r i l 1975 were a v a i l a b l e from the RCC f o r each month of the year f o r each s c h o o l . These s t a t i s t i c s were c a t e g o r i z e d according to number and c l a s s type of jobs f o r each d i s c i p l i n e , chemistry i n our case. Second, i n a d d i t i o n to the q u a n t i t a t i v e RCC u s e r - s t a t i s t i c s , a survey of the RCC Coordinators from each school was taken to a s c e r t a i n chemistry department usage, user a t t i t u d e s , coordinator-department cooperat i o n , hardware c o n s i d e r a t i o n s , e t c . T h i r d , a more d e t a i l e d survey was taken of each chemistry department to a s c e r t a i n curriculum o f f e r i n g s i n which the computer was used, the s p e c i f i c type of use, the l e v e l of use, the number of a c t i v e users on each departmental s t a f f , the sources of chemistry computer programs, e t c . A d d i t i o n a l reference to t h i s chemistry q u e s t i o n n a i r e w i l l be made i n the next s e c t i o n . One of the options f a c i n g a c o l l e g e i n Iowa and western I l l i n o i s i s whether or not to a f f i l i a t e with the RCC or to go the route of a s m a l l stand-alone computer. From the p e r s p e c t i v e of chemistry users i n the Iowa Network, no c l e a r preference arose f o r or against a stand-alone computer. To the question "Could a s m a l l stand-alone computer with no Iowa C i t y terminal c a p a b i l i t i e s more than adequately serve your present t o t a l needs?," the response was almost evenly d i v i d e d . Reasons f a v o r a b l e to a t e r m i n a l f a c i l i t y v a r i e d with the a v a i l a b l e p e r i p h e r a l equipment at Iowa C i t y (e.g. d i s k storage, calcomp p l o t t e r output), the a v a i l a b i l i t y of a s s i s t a n c e from computer experts at Iowa C i t y , and the resources at the U n i v e r s i t y of Iowa a v a i l a b l e to RCC Chemistry F a c u l t y (e.g. Chemical T i t l e s f i l e s , E.R.I.C. f i l e s ) . Not i n s i g n i f i c a n t l y , s e v e r a l chemistry users opposed a s m a l l stand-alone computer because they needed a s o p h i s t i c a t e d , l a r g e - c o r e computer l i k e the IBM 360/65 f o r t h e i r research a c t i v i t i e s . Reasons f a v o r a b l e to a stand-alone computer o b v i o u s l y r e s t i n each chemistry user's p e r c e p t i o n of "needs" to the above q u e s t i o n . For s e v e r a l departmental s t a f f s where only one member used the computer and only then o c c a s i o n a l l y , classroom usage was commonly l i m i t e d to s e v e r a l canned programs. Not s u r p r i s i n g l y t h i s s o r t of user sees no broader i m p l i c a t i o n s or usage f o r h i s students or h i m s e l f i n the resources a v a i l a b l e through the RCC. For example, the use of the computer i n a modern chemical l i t e r a t u r e course has probably never r e c e i v e d s e r i o u s c o n s i d e r a t i o n . Then there i s another s i t u a t i o n where a stand-alone f a c i l i t y i s s a t i s f a c t o r y under present departmental budget l i m i t a t i o n s . I f most of the d e s i r e d classroom/laboratory a p p l i c a t i o n s can be accomplished on the in-house ("free") f a c i l i t y , why use the open-ended ("not free")



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t e r m i n a l and s t r a i n the budget? An astute and dedicated Coordin a t o r can r e a d i l y convince users and administrators that in-house use of elementary computer programs i n a number of academic d i s c i p l i n e s can be more c o s t - e f f e c t i v e than t e r m i n a l use. C l e a r l y there are many f a c t o r s i n v o l v e d i n any i n s t i t u t i o n a l d e c i s i o n concerning a stand-alone versus a t e r m i n a l f a c i l i t y and i t i s not the purpose of t h i s paper to consider them i n d e t a i l . But one very i n t e r e s t i n g trend has c l e a r l y emerged from the RCC user-statistics. The r e l a t i v e academic versus a d m i n i s t r a t i v e use has decreased s i g n i f i c a n t l y i n over h a l f of the RCC schools. This increased a d m i n i s t r a t i v e a c t i v i t y i s due to the r a p i d and i n t e n t i o n a l development i n A d m i n i s t r a t i v e Data Processing (ADP) systems by the RCC s t a f f . C u r r e n t l y over h a l f the RCC schools use the Registration-Grade Reporting and P a y r o l l systems; member s c h o o l i n t e r e s t i n the use of the Alumni and Business O f f i c e systems i s growing. I t appears at t h i s p o i n t that newer and b e t t e r ADP a p p l i c a t i o n s v i a the terminal to Iowa C i t y w i l l d i c t a t e increased r a t h e r than decreased support of the terminal f o r most of the RCC schools. What about the needs of a Department of Chemistry whose p r i n c i p a l concern i s l i m i t e d to the baccalaureate degree? Based on the responses to the chemistry q u e s t i o n n a i r e , the RCC chemists do not view the p r o v i s i o n of l a r g e - s c a l e computing c a p a b i l i t y as primary, except i n very few circumstances. Nor do many of them care very much about e x t r a computer and chemistry s e r v i c e s a v a i l able through the Iowa Network arrangement. For many of them a s m a l l stand-alone computer w i l l serve j u s t f i n e i n t h e i r classroom s i t u a t i o n . Yet, i n l i g h t of the apparent increased t o t a l i n s t i t u t i o n a l support of a terminal arrangement, the o l d question of a remote t e r m i n a l versus a stand-alone computer no longer seems a p p r o p r i a t e . Rather the question now seems to be one of whether to s e l e c t a smart or dumb t e r m i n a l . A smart t e r m i n a l c o n f i g u r a t i o n would seem to provide the best of both worlds f o r a l l d i s c i p l i n e s s i n c e the d e s i r a b l e a d m i n i s t r a t i v e and academic a p p l i c a t i o n s of a normal remote job entry t e r m i n a l are s t i l l p o s s i b l e while the c o s t - e f f e c t i v e n e s s of running many small academic canned programs l o c a l l y i s maintained. Because o f p a r t i c u l a r circumstances and personnel at C e n t r a l and Clarke Colleges (the only RCC c o l l e g e s possessing smart terminals used a c a d e m i c a l l y ) , i t i s i n a p p r o p r i a t e to use t h e i r chemistry usage as i n d i c a t i v e of the norm. Yet i s i t not s u r p r i s i n g to f i n d l i t t l e chemistry terminal usage f o r e i t h e r c o l l e g e and a l s o a n o t i c e a b l e increase i n t e r m i n a l ADP type of usage f o r one of them. One other very important trend surfaces from both the Coordin a t o r survey and the chemistry q u e s t i o n n a i r e : there i s broad i n t e r e s t i n time-sharing among chemistry users. Even those users who could l i v e with a stand-alone, batch-mode computer were i n t e r ested i n time-sharing! As i n d i c a t e d i n Table I, G r i n n e l l College i s already i n t o time-sharing with the purchase of t h e i r PDP 11/45; by f a l l the f a c i l i t y i s expected to be f u l l y o p e r a t i o n a l f o r



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classroom use. The U n i v e r s i t y o f N o r t h e r n Iowa h a s p u r c h a s e d an HP 2000F w i t h d e l i v e r y t i m e t h i s summer. Other i n d i v i d u a l schools have made d e c i s i o n s t o go i n t o t i m e - s h a r i n g and a w a i t o n l y t h e c o n c e r t e d f i n a n c i a l campaign n e c e s s a r y t o s e c u r e f u n d s f o r s u c h a facility. Much o f t h i s t i m e - s h a r i n g i n t e r e s t i s due t o t h e e f f o r t o f t h e RCC s t a f f t o i n v o l v e t h e n e t w o r k i n an e f f o r t t o p u r c h a s e a computer l i k e t h e HP 2 0 0 0 F , w i t h t h e c p u l o c a t e d a t Iowa C i t y and the t e r m i n a l s at the p a r t i c i p a t i n g network i n s t i t u t i o n s . Included i n t h e p l a n was a p r o v i s i o n f o r RCC f a c u l t y t o l o c a t e / w r i t e s o f t w a r e f o r s e l e c t e d d i s c i p l i n e s (one o f w h i c h was c h e m i s t r y ) t o a s s u r e an i m m e d i a t e and f r u i t f u l e v a l u a t i o n o f t i m e - s h a r i n g on a network-wide b a s i s . I n t h e hope o f p r o p o s i n g a m o d e l c o n f i g u r a t i o n b e s t s a t i s f y i n g t h e many and d i v e r s e n e e d s o f a " t y p i c a l " s m a l l e r D e p a r t m e n t o f C h e m i s t r y , f r o m t h e e x p e r i e n c e o f t h e Iowa N e t w o r k i t a p p e a r s t h a t a smart t e r m i n a l arrangement where t i m e - s h a r i n g i s a p a r t o f t h e c o n f i g u r a t i o n w o u l d be t h e i d e a l m o d e l , one s i m i l a r t o t h e f a c i l i t y at G r i n n e l l . H o w e v e r , f i n a n c i a l r e s o u r c e s do n o t a l l o w many ( i f n o t m o s t ) m e d i u m - s i z e d i n s t i t u t i o n s a t t h i s p o i n t i n t i m e t o s e r i o u s l y c o n t e m p l a t e s u c h an a r r a n g e m e n t . P r o g r a m A v a i l a b i l i t y and L e v e l o f Use i n t h e C h e m i s t r y C u r r i c u l u m From t h e d i s c u s s i o n i n t h e p r e v i o u s s e c t i o n , t h e RCC has h a d l i t t l e o r no i m p a c t on t h e member i n s t i t u t i o n s , a t l e a s t so f a r as h a r d w a r e and " c o m p u t e p o w e r " i n t h e d i s c i p l i n e o f c h e m i s t r y a r e concerned. A l t h o u g h the use o f c h e m i s t r y s e r v i c e s a t p r e s e n t i s l i m i t e d , more and more RCC u s e r s a r e b e c o m i n g i n t e r e s t e d i n C h e m i c a l A b s t r a c t s , C h e m i c a l T i t l e s , and E . R . I . C . f i l e s . And t h e r e i s a d e f i n i t e and b r o a d s u r g e o f i n t e r e s t i n t i m e - s h a r i n g , much o f w h i c h i s due t o RCC s t a f f e f f o r t s i n c o n v i n c i n g u s e r s t h a t RCC t i m e - s h a r i n g c a p a b i l i t y b e l o n g s t o t h e " r e a l m o f t h e p o s s i b l e . " Y e t t h e s e areas have been the l e a s t c r i t i c a l t o c h e m i s t r y u s e r s and i f we a r e t o f u l l y measure t h e i m p a c t o f t h e RCC on t h e n e t w o r k D e p a r t m e n t s o f C h e m i s t r y we must l o o k e l s e w h e r e . It is i n the a r e a of p r o v i d i n g programs f o r use i n the c h e m i s t r y c u r r i c u l u m t h a t t h e Iowa N e t w o r k h a s made i t s b i g g e s t i m p a c t on c h e m i s t r y u s e r s , and a l s o w h e r e t h e r e s t i l l r e m a i n s t h e g r e a t e s t p o t e n t i a l . I t i s o b v i o u s t h a t t h e r e i s no way t o b e n e f i t f r o m c o m p u t e r based m a t e r i a l s i n the c l a s s r o o m u n l e s s the m a t e r i a l s are r e a d i l y available. A l t h o u g h t h e c h e m i s t r y u s e r s i n t h e Iowa N e t w o r k a r e n o t t h e w o r s t o f t h e l o t c l a s s i f i e d by J o e Denk (8) as " s o f t w a r e s t a r v e d l i t t l e p e o p l e , " t h e d i f f i c u l t i e s i n o b t a i n i n g good p r o g r a m s f o r c l a s s r o o m use a r e s t i l l common t o a l l o f us i n t h e network. I n t h e l a s t two y e a r s t h i n g s h a v e i m p r o v e d c o n s i d e r a b l y . T y p i c a l l y t h e u s e r h a d two s o u r c e s f o r o b t a i n i n g c h e m i s t r y c o m p u t e r p r o g r a m s , w r i t e h i s own a n d / o r l o c a t e them v i a t h e l i t e r ature. A l m o s t a l l o f t h e a c t i v e u s e r s c o n t i n u e t o do b o t h , b u t due t o U n i v e r s i t y o f Iowa p a r t i c i p a t i o n i n t h e c o o p e r a t i v e n a t i o n a l CONDUIT e x p e r i m e n t i n t h e t r a n s p o r t a b i l i t y o f c o m p u t e r - b a s e d



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u n d e r g r a d u a t e c u r r i c u l u m m a t e r i a l s , t h e u s e r s o f t h e n e t w o r k now a l s o h a v e a v a i l a b l e CONDUIT as a s o u r c e o f p r o g r a m s . A q u i c k g l a n c e a t t h e c h e m i s t r y q u e s t i o n n a i r e and t h e t y p e s o f l i t e r a t u r e s o u r c e s e m p l o y e d by t h e RCC c h e m i s t r y u s e r s i n d i c a t e s t h a t t h e J o u r n a l o f C h e m i c a l E d u c a t i o n and CONDUIT a r e t h e most common s o u r c e s o f c h e m i s t r y p r o g r a m s ( 9 ) . Although r e a d i l y a v a i l a b l e o n t h e d i s k a t Iowa C i t y , CONDUIT c h e m i s t r y p r o g r a m s h a v e s u f f e r e d i n t h e p a s t f r o m o c c a s i o n a l bugs and i n c o m p l e t e o r inappropriate documentation. On t h e o t h e r h a n d , anyone who o b t a i n s a p r o g r a m d i r e c t l y f r o m an a u t h o r n o t e d i n t h e l i t e r a t u r e does n o t have t h e CONDUIT r e v i e w / c e r t i f i c a t i o n p r o c e s s t o r e l y u p o n . M o r e o v e r , he must o f t e n m o d i f y t h e p r o g r a m t o f i t h i s p a r t i c u l a r computer s y s t e m . A d d i t i o n a l programs have been o b t a i n e d f r o m t h e t e x t b o o k s b y W i b e r g ( 1 0 ) , D i c k s o n (11) , DeTar ( 1 2 ) , and I s e n h o u r and J u r s ( 1 3 ) ; f r o m CCUC (14) ; f r o m t h e Quantum C h e m i s t r y P r o g r a m E x c h a n g e a t I n d i a n a U n i v e r s i t y ; and f r o m Oak R i d g e and A r g o n n e N a t i o n a l L a b o r a t o r i e s t h r o u g h t h e U n i v e r s i t y o f Iowa Department of Chemistry ( 1 5 , 1 6 ) . A c c o r d i n g to the twelve Departments of Chemistry of t h i s s t u d y , t h e use o f t h e c o m p u t e r o c c u r r e d most o f t e n i n t h e p h y s i c a l c h e m i s t r y c u r r i c u l u m ( e i g h t u s e r s i n d i c a t e d r e g u l a r use on t h e a v e r a g e o f a t l e a s t once a m o n t h ) . Computer usage i n a n a l y t i c a l c h e m i s t r y was n e x t most f r e q u e n t ( o n l y t h r e e u s e r s i n d i c a t e d no u s e a t a l l ) , f o l l o w e d c l o s e l y b y f r e s h m a n c h e m i s t r y and t h e n o r g a n i c c h e m i s t r y ( s i x u s e r s i n d i c a t e d no use a t a l l ) . Other c u r r i c u l u m o f f e r i n g s i n w h i c h t h e c o m p u t e r was u s e d r a n g e d f r o m c o u r s e s i n t h e I d e n t i f i c a t i o n o f O r g a n i c Compounds and B i o c h e m i s t r y t o t h o s e i n R e s e a r c h and I n d e p e n d e n t S t u d y and one i n Computer A p p l i c a t i o n s i n C h e m i s t r y . Types o f p r o g r a m s v a r y f r o m l e a s t s q u a r e s a n a l y s i s and o t h e r d a t a r e d u c t i o n r o u t i n e s t o p l o t t i n g and o t h e r s i m u l a t i o n p r o g r a m s . A few o f t h e s p e c i f i c a p p l i c a t i o n s i n c l u d e k i n e t i c s s t u d i e s , quantum m e c h a n i c a l c a l c u l a t i o n s , n u m e r i c a l i n t e g r a t i o n s , a t o m i c and m o l e c u l a r o r b i t a l c a l c u l a t i o n s , I R and NMR r o u t i n e s , and s e v e r a l t i t r a t i o n a p p l i c a t i o n s ( f r o m s i m u l a t i o n to endpoint determination). I n a d d i t i o n to the i n c r e a s e d base o f programs a v a i l a b l e f o r f u t u r e use i n t h e c h e m i s t r y c u r r i c u l u m , a n o t h e r i m p o r t a n t b e n e f i t from network a f f i l i a t i o n i s the h o l d i n g of network-wide workshops and m e e t i n g s . The i n t e n t o f s u c h w o r k s h o p s h a s b e e n t o f o s t e r i n t e r a c t i o n b e t w e e n members o f remote i n s t i t u t i o n s and s t i m u l a t e new i d e a s and a p p l i c a t i o n s i n t h e c l a s s r o o m . As a p o i n t o f r e f e r e n c e , t h e l a s t c h e m i s t r y w o r k s h o p was h e l p i n September 1 9 7 3 . A b o u t t h i r t y p a r t i c i p a n t s ( c h e m i s t r y f a c u l t y and s t u d e n t s and some C o o r d i n a t o r s ) a t t e n d e d f r o m e l e v e n o f t h e RCC i n s t i t u t i o n s and a l s o f r o m t h r e e o t h e r Iowa c o l l e g e s and u n i v e r s i t i e s . Over t w o - t h i r d s o f t h o s e s c h o o l s w h i c h w e r e b o t h a t t h e w o r k s h o p and are a l s o a p a r t o f t h i s s t u d y c l a i m e d t h a t the workshop i n c r e a s e d b o t h f a c u l t y i n t e r e s t i n new c o m p u t e r p r o g r a m s and u s a g e o f t h e computer. The u s e r - s t a t i s t i c s i n d i c a t e d a s u r g e o f c h e m i s t r y u s e i n t h e s e v e r a l months i m m e d i a t e l y f o l l o w i n g t h e w o r k s h o p .



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And o f the twelve schools i n t h i s study, a l l but one wanted at l e a s t o c c a s i o n a l chemistry workshops, with n e a r l y one-half wanting annual workshops! From e a r l i e r d i s c u s s i o n i t should be c l e a r that the RCC has functioned more as a " u s e r - s e r v i c e s " network than a " t r a n s m i s s i o n " or " f a c i l i t a t i n g " network ( 4 ) . The f i n g e r s and the palm of the RCC hand seem more and more to r e a l i z e t h e i r mutual interdependency. I t i s the author's f e e l i n g that there i s a growing change i n a t t i t u d e among chemistry users. In t h e i r eyes the RCC has always e x i s t e d to provide a f a c i l i t y f o r accomplishing s p e c i f i c computational tasks. But with workshops by and f o r chemical educators i n which pedagogical use of the computer becomes an important i n g r e d i e n t , the network becomes more than j u s t an agent to p a r c e l out b i g g e r and b e t t e r canned programs. Such workshops can e l i c i t i n t e r e s t from the u n i n i t i a t e d as w e l l as serve as a s o r t of f u e l i n g s t a t i o n f o r the more knowledgeable users. In a d d i t i o n to p r o v i d i n g new and u s e f u l knowledge about p a r t i c u l a r r o u t i n e s , the i n t e r p e r s o n a l contacts of the workshop more o f t e n than not serve to k i n d l e f u r t h e r a c t i v i t y i n the p a r t i c i p a n t s . As a case i n p o i n t , the frequent workshops h e l d by the North C a r o l i n a E d u c a t i o n a l Computing S e r v i c e have played a key r o l e i n the high r a t e of growth i n the use o f the computer i n the North C a r o l i n a Network (17). To be sure there are s t i l l chemistry users who are not i n t e r e s t e d i n network s h a r i n g i n the Iowa Network and who would r a t h e r "do i t alone." Another type of response to our network, the "do i t f o r me" a t t i t u d e , i s a l s o s t i l l too common. Yet the author detects a trend away from these responses and i n s t e a d a "do i t with me" response p r e v a i l i n g i n more and more chemistry users. The i n c l u s i o n of more frequent f a c u l t y t r a i n i n g workshops as an i n t e g r a l p a r t of the o v e r a l l RCC implementation s t r a t e g y at present appears to be one of the most e f f e c t i v e ways to c a p i t a l i z e on t h i s f a v o r a b l e response. In t u r n , the i n c r e a s e d l e v e l o f usage would b e n e f i t both f i n g e r s and palm s i g n i f i c a n t l y . Conclusions The computer i s f a s t becoming a t o o l v i t a l to the whole of modern-day chemistry. I t i s causing a r e v o l u t i o n i n the f r o n t i e r s of chemical education! The a c t i v i t y of the ACS D i v i s i o n s of Computers i n Chemistry and Chemical Education ( p a r t i c u l a r l y i t s Committee on the Role of Computing i n Chemical Education) at recent Regional ACS Meetings and N a t i o n a l ACS Meetings ( i n c l u d i n g t h i s one) i s not going unnoticed by the chemists at the RCC member institutions. Although i n the recent past the chemistry users have not taken advantage of computing c a p a b i l i t y and chemistry s e r v i c e s a f f o r d e d through the RCC, they are beginning to recognize them as probable future needs o f a modern Department of Chemistry. The present f i n a n c i a l s i t u a t i o n at most of the RCC schools precludes immediate and extensive use of these f e a t u r e s , but the chemistry users do seem to recognize the p o t e n t i a l that e x i s t s .


150


Increased availability of computer programs for use in the chemistry curriculum and network-wide chemistry workshops have had a strong impact on the chemistry users of the RCC institutions. Regular chemistry workshops for and by chemical educators are clearly recognized as valuable and highly desired by almost all the member institutions Departments of Chemistry. The RCC has generated a wholesome demand for network cooperation and with extra effort towards filling this demand, such as more frequent workshops, it is in a position of seeing a significant increase in the level of computing by the chemists of the Iowa Network. Finally, there is a growing nationwide interest in the use of computer-assisted test construction (CATC), with the discipline of chemistry taking an active leadership position (18). Moreover, the CONDUIT Chemistry Advisory Committee is examining the possibility of providing a transportable CATC item pool and question retrieval program (19). Because of these circumstances and the close-to-home fact that the Department of Chemistry at the University of Iowa has just completed a CATC program in freshman chemistry (20), it is but a matter of time before Iowa chemistry users will have to face the decision of CATC on a network-level cooperative basis, or on an individual institutional basis, or not at all! Because of the considerable effort involved to construct and maintain a large data pool of chemistry questions acceptable to even a few users and because of the size of the computer necessary for even a modest CATC system, a cooperative CATC venture would be a natural next step for a network like the RCC. Although CATC is still off on the horizon, so far as most RCC chemistry users are concerned, a network-wide effort in this area of instructional computing could prove very beneficial to each of the RCC Departments of Chemistry. It should hold a key position in future institutional and network deliberations.


1

Acknowle dgemen ts It is a pleasure to acknowledge Chuck Shomper, Director of the Regional Computer Center, and Pete Trotter, Manager of Network Academic Services of the RCC. Without their help this study would have been impossible. Willing assistance from the chemistry users and Coordinators of the RCC member institutions is also gratefully acknowledged. Literature Cited 1. Weeg, G.P., and Shomper, C.R., EDUCOM Bulletin (Spring 1974), 9, 14. 2. Weingarten, F.W., Nielsen, N.R., Whiteley, J.R., and Weeg, G.P., "A Study of Regional Computer Networks," University of Iowa, Iowa City, IA, 1973. 3. See, for example, "Networks and Disciplines" (Proceedings of the EDUCOM Fall 1972 Conference), EDUCOM, Princeton, NJ, 1972.


10. ZEMKE 4. 5. 6.


7.

8. 9.

10. 11. 12. 13. 14.

15. 16.

Impact on College Chemistry Departments

151

Greenberger, Μ., Aronofsky, J., McKenney, J . L . , and Massy, W.F., Science (1973), 182, 29. Luehrmann, A.W., and Nevison, J.M., Science (1974), 184, 957. Chambers, J.A., and Poore, R.V., Communications of the ACM (1975), 18, 193. CONDUIT stands for Computers at Oregon State University, North Carolina Educational Computing Service, Dartmouth College, and the Universities of Iowa and Texas (Austin). Sponsored by the National Science Foundation, this consortium of regional computer networks was organized in January 1972 to study and evaluate the transportability and dissemination of computer -based curriculum materials for use on the undergraduate level of instruction. Denk, J.R., Proceedings of the Conference on Computers in the Undergraduate Curricula (1972), 3, 547. The Journal of Chemical Education is a very common source of computer programs for all sorts of applications in the chem istry curriculum. See, for example, the "Selected Biblio graphy of Computer Programs in Chemical Education" submitted by the author for publication in J. Chem. Educ. This biblio graphy lists 168 digital computer programs noted in J. Chem. Educ. for the eight years 1967-74; computer language and machine and a brief statement about the program usage are given. Wiberg, K.B., "Computer Programming for Chemists," W. A. Ben jamin, Inc., New York, 1965. Dickson, T.R., "The Computer and Chemistry," W. H. Freeman and Co., San Francisco, 1968. DeTar, D.F., "Computer Programs for Chemistry," W. A. Benja min, Inc., New York, 1968(I), 1970(II). Isenhour, T.L., and Jurs, P.C., "Introduction to Computer Pro gramming for Chemists," Allyn and Bacon, Inc., Boston, 1972. CCUC stands for Conference on Computers in the Undergraduate Curricula. Below are dates and places of the annual confer ence. CCUC/1, Iowa City, IA June 1970 CCUC/2, Hanover, NH June 1971 CCUC/3, Atlanta, GA June 1972 CCUC/4, Claremont, CA June 1973 CCUC/5, Pullman, WA June 1974 CCUC/6, Fort Worth, TX June 1975 Copies of the Proceedings for any of these conferences can be purchased from Ted Sjoerdsma, Lindquist Center, University of Iowa, Iowa City, IA, 52242. Johnson, C.K., "ORTEP (Oak Ridge Thermal Ellipsoid Plot Pro gram)," Oak Ridge National Laboratory Report 3794, 1965. Wahl, A.C., Bertoncini, P.J., Kaiser, Κ., and Land, R.H., "BISON, A Fortran Computer System for the Calculation of Ana lytic SCF Wavefunctions, Properties, and Charge Densities for Diatomic Molecules," Argonne National Laboratory Report 7271,


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1968. 17. Joe Denk, private communication. 18. See, for example, "The Computer Assisted Test Construction Conference" held at San Diego, October 1974. 19. Private communication. 20. Kenneth Sando, private communication.


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