From chemistry-request@ccl.net Mon Sep 2 06:24:32 1991 From: schoeffel@sc.ZIB-Berlin.DE (Schoeffel) Subject: Question regarding the BROWSE program of Gaussian Inc. To: chemistry@ccl.net Date: Mon, 2 Sep 91 11:15:04 MET DST Organization: Konrad-Zuse-Zentrum fuer Informationstechnik Berlin Status: R Operation System: SunOS 4.1 1 X-Mailer: ELM [version 2.3 PL0] Is there anybody using the "BROWSE"-data-base-program >from Gaussian-Inc to access the CMQCA data base ? How is the expericence using it ? Any comments are welcome. -- Klaus Schoeffel Computational Chemist Department of Supercomputing Konrad-Zuse-Zentrum fuer Informationstechnik Berlin (ZIB), Heilbronner Str. 10, D-1000 Berlin 31 ---------------------------------------------------------- PHONE: +49 30 / 89604-144 X.400: C=de;ADMD=dbp;PRMD=zib-berlin;OU=sc;S=Schoeffel BITNET: schoeffel@sc.zib-berlin.dbp.de INTERNET: schoeffel@sc.zib-berlin.de UUCP: unido!sc.zib-berlin.de!schoeffel From chemistry-request@ccl.net Mon Sep 2 23:30:55 1991 Date: Mon, 2 Sep 91 21:25:07 EDT From: George R Famini To: chemistry@ccl.net Subject: Standards in Molecular Data Files Status: R The disussion on standards in molecular data (ie... input, output files >from comp chem programs, connectivity files, etc) seems to be generating quite a bit of interest. Last week I posted a message stating I knew of two independent groups working on the problem, but didn't remember their names. Well, both were in New York last week for the ACS meeting, and were very interested in the discussions on this forum. Bill Town is with the Chemical Structures Association in the UK, 9 Peachcroft Road, Abingdon Oxon, OX14 2NA ENGLAND, and Charlie Gragg is with the ASTM group addressing the problem (email: 71347.3206@compuserve.com). Charlie would like to see as many of these messages as he can (so I'm forwarding them to him), but I'm sure he would like to hear opinions from whomever is so inclined. George Famini US Army CRDEC Life is like a ferrari, it goes too fast. Of course, you probably couldn't afford it anyway-- Garfield.