From owner-chemistry@ccl.net Tue Jul 30 07:17:22 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id GAA26322; Tue, 30 Jul 1996 06:29:44 -0400 (EDT) Received: from seagoon.newcastle.edu.au for tony@schroeder.newcastle.edu.au by bedrock.ccl.net (8.7.5/950822.1) id GAA12830; Tue, 30 Jul 1996 06:29:42 -0400 (EDT) Received: from schroeder.newcastle.edu.au (schroeder.newcastle.edu.au [134.148.36.6]) by seagoon.newcastle.edu.au (8.7.5/8.7.3) with SMTP id UAA19906 for ; Tue, 30 Jul 1996 20:29:39 +1000 (EST) Received: from linus.newcastle.edu.au by schroeder.newcastle.edu.au (AIX 4.1/UCB 5.64/4.03) id AA22924; Tue, 30 Jul 1996 20:28:09 +1100 Received: from localhost by linus.newcastle.edu.au (5.65v3.2/1.1.10.5/17Jul96-1217PM) id AA14177; Tue, 30 Jul 1996 20:31:19 +1000 Date: Tue, 30 Jul 1996 20:31:19 +1000 (EST) From: Tony Dyson X-Sender: tony@linus.newcastle.edu.au To: Computational Chemistry List Subject: CCL: G94 and Digital Unix 4.0 Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Has anybody successfully compiled G94 under Digital Unix 4.0? So far I've compiled it but I'm getting a strange runtime error. L101.exe: Cannot map data I have no idea what it means or how to fix it. Any clues? Tony Dyson ================================================================ Mr. Anthony J. Dyson tony@schroeder.newcastle.edu.au Dept. of Physics phone: +61 49 21 5565 University of Newcastle fax: +61 49 21 6907 Callaghan, Australia, 2308 ================================================================ From BCNLMA@hkpucc.polyu.edu.hk Tue Jul 30 09:17:21 1996 Received: from hkpa02.polyu.edu.hk for BCNLMA@hkpucc.polyu.edu.hk by www.ccl.net (8.7.5/950822.1) id JAA26732; Tue, 30 Jul 1996 09:03:53 -0400 (EDT) From: Date: Tue, 30 Jul 1996 21:04:39 +0800 (HKT) To: CHEMISTRY@www.ccl.net Message-Id: <960730210439.2040344e@hkpucc.polyu.edu.hk> Subject: G94: Plot program for Cube Dear all, Does anyone have any plotting program for electron density from Cube calculation in G94, that runs on PC or Mac? Any pointer would be appreciated. yours sincerely, Ida N. L. Ma From owner-chemistry@ccl.net Tue Jul 30 10:17:21 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id KAA26955; Tue, 30 Jul 1996 10:06:40 -0400 (EDT) Received: from SIUCVMB.SIU.EDU for TAPASKAR@SIUCVMB.SIU.EDU by bedrock.ccl.net (8.7.5/950822.1) id KAA14281; Tue, 30 Jul 1996 10:06:38 -0400 (EDT) Message-Id: <199607301406.KAA14281@bedrock.ccl.net> Received: from SIUCVMB.SIU.EDU by SIUCVMB.SIU.EDU (IBM VM SMTP V2R2) with BSMTP id 3022; Tue, 30 Jul 96 09:06:24 CST Date: Tue, 30 Jul 96 09:00:54 CST From: "Tapas Kar" To: chemistry@ccl.net Subject: Experimental IP and EA data Hi Dr John Bartmess ( bartmess@novell.chem.utk.edu ) and Dr Sharon Lias (sgl@micf.nist.gov ) maintain database of Experimental EA and IP, resp. Tapas From shawn@wavefun.com Tue Jul 30 15:17:24 1996 Received: from volvo.wavefun.com for shawn@wavefun.com by www.ccl.net (8.7.5/950822.1) id OAA28874; Tue, 30 Jul 1996 14:37:08 -0400 (EDT) Received: by volvo.wavefun.com (931110.SGI/930416.SGI) for chemistry@www.ccl.net id AA21445; Tue, 30 Jul 96 11:38:29 -0700 Date: Tue, 30 Jul 96 11:38:29 -0700 Received: from fiat.wavefun.com(198.147.95.116) by volvo.wavefun.com via smap (V1.3) id sma021443; Tue Jul 30 11:38:18 1996 X-Sender: shawn@nissan Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@www.ccl.net From: shawn@wavefun.com (Shawn Butler) Subject: Chemistry Application File Formats Dear CCL'ers: On belalf of Wavefunction (Spartan, MacSpartan, PC Spartan), I would like to know what chemistry application file formats you (1) use most (2) would like/need to see in any new application (3) find most useful for exhanging information between applications. Favorites so far are MDL Molfile, PDB, CCDB, and SYBYL Mol2. Please respond to me directly (shawn@wavefun.com), and I will summarize on request. Thanks! Shawn Butler, Wavefunction, Inc. shawn@wavefun.com **************************************************************************** Wavefunction, Inc. 18401 Von Karman Ave., Ste. 370 Irvine, CA 92612 WWW: http://www.wavefun.com Spartan Sales: (714) 955-2120 - sales@wavefun.com MacSpartan Sales: (714) 660-6101 - macsales@wavefun.com Fax: (714) 955-2118 **************************************************************************** "Wow. That's one big wave." ****************************************************************************