From chemistry-request@ccl.net Wed Aug 7 17:51:32 1991 Date: Wed, 7 Aug 91 13:57:34 -0700 From: Hitomi Ohkawa Subject: Wanted: Information on BioCAD System To: chemistry@ccl.net Status: R Hello, I am interested in getting information on Computer-Aided Chemistry systems produced by BioCAD Corporation. Supported hardware platforms, usability, performance, graphical facilities, databases, etc. any information is appreciated. Thank you very much in advance. ------------------------------------------------------------ Hitomi Ohkawa hitomi@cse.ogi.edu(CSNET) Department of Computer Science and Engineering Oregon Graduate Institute of Science and Technology 19600 N.W. Von Neumann Drive Beaverton, OR. 97006-1999 U.S.A. (503)690-1121 ------------------------------------------------------------ From chemistry-request@ccl.net Wed Aug 7 18:38:58 1991 Date: Wed, 7 Aug 91 15:04:02 -0700 From: Hitomi Ohkawa To: chemistry@ccl.net Subject: Please Reply Me Directly on BioCAD Status: R I am awfully sorry to produce additional bandwidth, but I forgot to ask information on BioCAD systems (I requested in my previous posting) sent directly to: hitomi@cse.ogi.edu (CSNET) I will make a summary available to anyone interested. Thank you. --Hitomi Ohkawa From chemistry-request@ccl.net Wed Aug 7 18:58:27 1991 Date: Wed, 7 Aug 1991 15:14 CDT From: Andy Holder Subject: UHF/Spin Densities To: CHEMISTRY@ccl.net Status: R Whoever posted recently asking about semiempirical spin densities and such, could you post a compendium of your answers, per accepted procedures? =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= DR. ANDREW HOLDER Department of Chemistry || BITNET Addr: AHOLDER@UMKCVAX1 University of Missouri - Kansas City || Internet Addr: aholder@vax1.umkc.edu Kansas City, Missouri 64110 || Phone Number: (816) 235-2293 =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= From chemistry-request@ccl.net Thu Aug 8 00:25:31 1991 Date: Wed, 7 Aug 91 19:03 CDT From: KIM%cmda.abbott.com@RELAY.CS.NET Subject: QSAR Society To: chemistry%ccl.net@RELAY.CS.NET Status: R You can contact Prof. John Block College of Pharmacy Oregon State University Corvallis, OR 97331 E-mail: blockj%ccmail@usc.orst.edu If you have any trouble, you can contact me again. Ki Kim Abbott Lab. D47E, AP9A (708)937-5797 E-mail:KIM@CMDA.ABBOTT.COM From chemistry-request@ccl.net Thu Aug 8 11:18:18 1991 Date: Thu, 8 Aug 91 09:46:18 CDT From: george@faye.cray.com (George Fitzgerald) To: CHEMISTRY@ccl.net Subject: AMPAC question Status: R Can Anybody direct me to the lastest and greatest version of AMPAC for the Cray? I am currently using a version labeled 2.1, February 1987. Thanks, George Fitzgerald Cray Research From jkl@ccl.net Thu Aug 8 11:26:45 1991 To: chemistry@ccl.net Subject: What Crystallographic Software is available? Date: Thu, 08 Aug 91 11:26:38 EDT From: jkl@ccl.net Status: R I am redirecting the question to the list: >From raman@thales.scripps.edu Wed Aug 7 13:12:42 1991 >Date: Wed, 7 Aug 91 10:09:04 -0700 >From: raman@thales.scripps.edu (K. Ramnarayan) >To: chemistry-request@ccl.net >Status: R > >Dear Crystallographers, > >I am interested in information concerning >all commercial and public domain softwares >available for Crystal Structure solution >for both small and large molecules. > >I will be much obliged with your input. > >Please send your comments to > > raman@scripps.edu. > >Many Thanks. >..raman@scripps.edu From chemistry-request@ccl.net Thu Aug 8 22:37:47 1991 Date: Thu, 8 Aug 91 23:08:36 GMT From: Joe Leonard To: chemistry%ccl.net%apgea.army.mil@crdec7.apgea.army.mil Subject: Fortran subroutines Status: R Does anybody have the fortran source for the CADPAC routines mxma.f and gmxma.f? I have the assembly source, but need the portable version... Thanks in advance, Joe Leonard Stardent Computer