From chemistry-request@ccl.net Wed Dec 18 18:20:23 1991 Date: Thu, 19 Dec 91 10:04:12 EST From: Dr. G. Paul Savage Subject: Macintosh Computing To: CHEMISTRY@ccl.net Status: R I'm forwarding the following article from a macintosh bulletin board. It might be of interest to this group. Paul Savage scientia est potentia ============================================================================= The Macintosh Scientific and Technical Users Association (MacSciTech) will be hosting the first annual Conference on Scientific and Engineering Applications of the Macintosh (SEAM '92) at the Sir Francis Drake hotel in San Francisco CA, January 15-17, 1992; the conference will overlap with the last day of MacWorld San Francisco. SEAM '92 will have many technical sessions, panel discussions, a poster session, exhibits and short courses. The keynote speakers will be Cliff Stoll, author of The Cuckoo's Egg, Larry Tesler, Vice President, Advanced Products, Apple Computer Inc. and Rob Wolff, Senior Research Scientist in Apple's Advanced Technology Group. SEAM '92 will demonstrate that the Macintosh has a wide range of applications in a variety of technical disciplines. Some of the technical session titles and their chairpersons are as follows: * NCSA Tools: Present and Future - Joe Hardin, NCSA * The Macintosh As A Tool For Molecular Biologists - Bob Gross, Dartmouth University * Science Under System 7 - John Osborn, National Oceanographic Data Center * Data Visualization On The Macintosh - Paul Daley, Lawrence Livermore National Labs * Scientific Imaging on the Macintosh - Joseph Ayers, Northeastern University * Symbolic Math on the Macintosh - Nancy Blachman, Variable Symbols * The Macintosh in Medicine - Franklin Tessler, UCLA * Unique & Innovative Lab Solutions - Craig Stone, San Jose State 226 Transfer complete. University * Engineering Calculations - Frank Brittain, Bechtel Corporation * Design for Manufacture & Assembly - Rich Adler, Sapphire Design * Data Acquisition On The Macintosh - William E. Larson, NASA * Chemical Information Management Systems - Scott Jenkins, Sandoz Crop Protection * The Complete Designer's Workstation - Joel Orr, LEAP * Scientific Data Acquisition & Analysis - Robert Robinson, Bellcore * Simulation Techniques & Systems - John Everton, Autosimulations There will be several panel discussions that include: * HDF: Universal Data Structure of the Future? Session Chair: Doug Nomura, DNAX Research Institute Panelists: Mike Folk, NCSA, Tim Krauskopf, SpyGlass, Sam Bogoch, Torque Computers, Jim Anderson, EG&G and Tom Kelleher, * Math Shootout: A discussion of the pros & cons of computer based mathematics packages. Panelists: Richard Fateman, UC Berkeley, Allan Bonadio, Prescience, Ron Avitzur, Cleve Moler, The MathWorks, Benton Leong, Maple, David Russell, Bimillennium. * MacSciTech - Technical Advisory Board: Panelists: Frank Brittain, Bechtel Corp., Barbara Jezl, E.I. duPont de Nemours, Mary Jo Spencer, University of New Hampshire, Craig Stone, San Jose State University. Short Courses: * Digital Signal Processing - Joe Burke, Spectral Innovations * Structured Programming for Data Acquisition & System Calibration Using LabVIEW - Robert Reinking, University of Arizona * Visualization on the Macintosh - Brand Fortner, Spyglass * Networking & Communications - Mike Bailey, Lockheed * Introduction to Mathematica - Nancy Blachman, Variable Symbols * Programming in Mathematica - Nancy Blachman, Variable Symbols Accomodations for SEAM '92 attendees are available at the site of the conference, the Sir Francis Drake Hotel, Union Square, Powell and Sutter Streets, San Francisco CA 94102 (415-392-7755,800-227- 5480, 800-652-1668 in California). If attendees book a room in the conference hotel, they should mention that they are attending the SEAM conference. MacSciTech is a professional organization composed of scientists, engineers and medical researchers interested in enhancing the effective utilization of the Macintosh in the technical computing environment. For more information about SEAM '92 or MacSciTech, please contact the MacSciTech office. MacSciTech 49 Midgley Lane Worcester MA 01604 Tel: (508) 755-5242 FAX: (508) 795-1636 AppleLink: cons.lab.mfg Internet: cons.lab.mfg@applelink.apple.com America Online: SciTechMac Compuserve 73237,1627 From chemistry-request@ccl.net Thu Dec 19 17:34:29 1991 Date: Thu, 19 Dec 91 17:14:59 -0500 From: kxb3@po.CWRU.Edu (Kenneth Butenhof) To: chemistry@ccl.net Subject: search for E-density display (FTP) Status: R Some time ago I believe someone asked about FTP access to source that can display electron density from G90 checkpoint files, or I may have dreamed it (as sometimes happens). In any case I am very interested in getting source for this purpose. I would prefer the output device to be an Evans and Sutherland PS390, but I'm not picky. TEK4xxx, MAC, LUNDY, LEXIDATA, HP7475 or POSTSCRIPT would be fine. I know QCPE has a program for this, but I would like access by FTP. -- Ken Butenhof Department of Pediatrics Case Western Reserve University Cleveland, Ohio 44106 From chemistry-request@ccl.net Thu Dec 19 18:04:59 1991 Date: Thu, 19 Dec 91 17:52:28 EST From: ogle@unccvax.uncc.edu (ca ogle) To: CHEMISTRY@ccl.net Subject: internal and cartesian Status: R I am looking for information regarding routines for interconverting internal and cartesian coordinates. C routines are preferred, but fortran is acceptable. Any code or references will be appreciated. Thank you. ============================================================================= Harry Johnson IV Phone: (704)547-4339 E-Mail: ogle@unccvax.uncc.edu Department of Chemistry University of North Carolina at Charlotte Charlotte, North Carolina 28223 "Seems to me, its all just chemistry..." -Neil Peart =============================================================================