From mvoue@cc.fundp.ac.be Fri Jan 7 02:47:58 1994 Received: from quick for mvoue@cc.fundp.ac.be by www.ccl.net (8.6.4/930601.1506) id CAA19458; Fri, 7 Jan 1994 02:17:16 -0500 Received: by cc.fundp.ac.be (MX V3.1A) id 9708; Fri, 07 Jan 1994 08:18:17 EST Sender: mvoue@cc.fundp.ac.be Date: Fri, 07 Jan 1994 08:18:14 EST From: mvoue@ccl.net To: chemistry@ccl.net Message-ID: <009782BE.3615BB20.9708@cc.fundp.ac.be> Subject: polysaccharides Dear netters, We are interested in calculating the geometry of some short chains of polysaccharides. The monomers are alpha-D-galacturonic acid and are usually ionized at physiological pH. The polymerization degree of those oligasaccharides is less than 10. As we are completely new to this field of computational chemistry, any syggestion about the starting procedure will be greatly appreciated ... Thanks in advance. Michel Voue - Lab. Biotechnologie Theorique Facultes Universitaires N.-D. de la Paix B-5000 NAMUR (Belgium) e-mail : mvoue@quick.cc.fundp.ac.be From YQIN@aardvark.ucs.uoknor.edu Fri Jan 7 11:49:22 1994 Received: from aardvark.ucs.uoknor.edu for YQIN@aardvark.ucs.uoknor.edu by www.ccl.net (8.6.4/930601.1506) id LAA22522; Fri, 7 Jan 1994 11:19:01 -0500 From: Message-Id: <199401071619.LAA22522@www.ccl.net> Date: Fri, 7 Jan 94 10:19 CST Subject: subscribe To: chemistry@ccl.net X-VMS-To: IN%"chemistry@ccl.net" Dear Edit: Could please put my name on the mailing list. I want to join this communication group. Thank you very much With my best regards yue qin From jkl@ccl.net Fri Jan 7 12:48:05 1994 Received: from krakow.ccl.net for jkl@ccl.net by www.ccl.net (8.6.4/930601.1506) id MAA23390; Fri, 7 Jan 1994 12:30:29 -0500 From: Jan Labanowski Received: from localhost for jkl@ccl.net by krakow.ccl.net (8.6.4/920428.1525) id MAA04536; Fri, 7 Jan 1994 12:30:28 -0500 Date: Fri, 7 Jan 1994 12:30:28 -0500 Message-Id: <199401071730.MAA04536@krakow.ccl.net> To: chemistry@ccl.net Subject: Re: BPTI X-tal Structure In-Reply-To: Mail from 'jjp1@tams.chem.buffalo.edu (Joe Pavelites)' dated: Fri, 7 Jan 1994 12:15:37 -0500 Cc: jkl@ccl.net The PDB files are available on anonymous ftp. To get them, do the following: To get any PDB file do: ftp irisc2.chm.bnl.gov Name: anonymous Password: Your_email_address ftp> cd fullrelease ftp> cd uncompressed_entries ftp> get pdbXXXX.ent XXXX is a PDB symbol for BPTI ftp> quit Jan Labanowski jkl@ccl.net From mn1@helix.nih.gov Fri Jan 7 13:48:21 1994 Received: from helix.nih.gov for mn1@helix.nih.gov by www.ccl.net (8.6.4/930601.1506) id NAA24065; Fri, 7 Jan 1994 13:43:58 -0500 Received: from localhost by helix.nih.gov (8.6.4/1.35(helix-1.0)) id NAA21973; Fri, 7 Jan 1994 13:43:59 -0500 Date: Fri, 7 Jan 1994 13:43:59 -0500 From: mn1@helix.nih.gov (M. Nicklaus) Message-Id: <199401071843.NAA21973@helix.nih.gov> To: CHEMISTRY@ccl.net Subject: "Lock & Key" conference in Zuerich I just noticed in Yate-Ching Yuan's summary posting the mentioning of a conference "Zuerich Lock & Key 15.-16.4.[1994(?)]". Does anyone know anything more specific (scope, speakers, price, application address etc.) about this conference? ------------------------------------------------------------------------ Marc C. Nicklaus Lab. of Medicinal Chemistry e-mail: mn1@helix.nih.gov National Cancer Institute, NIH Phone: (301) 402-3111 Bldg 37, Rm 5B29 Fax: (301) 496-5839 Bethesda, MD 20892 ------------------------------------------------------------------------ From ssidner@unmc.edu Fri Jan 7 13:50:41 1994 Received: from karplus.unmc.edu for ssidner@unmc.edu by www.ccl.net (8.6.4/930601.1506) id NAA23861; Fri, 7 Jan 1994 13:27:15 -0500 Received: by karplus.unmc.edu (4.1/SMI-4.1) id AA00724; Fri, 7 Jan 94 12:27:14 CST Date: Fri, 7 Jan 94 12:27:14 CST From: ssidner@unmc.edu (Steve Sidner) Message-Id: <9401071827.AA00724@karplus.unmc.edu> To: chemistry@ccl.net Subject: Re: BPTI X-tal Structure > The PDB files are available on anonymous ftp. And by gopher, which is wonderful! > To get them, do the following: > > To get any PDB file do: > > ftp irisc2.chm.bnl.gov xgopher irisc2.chm.bnl.gov You can do searches, and get descriptions, and retrieve the entries. We used to try to keep a copy of the PDB here, which ate disks and needed to be kept current. Plus it was tough to search. Now, BNL provides this wonderful service! Thanks, BNL! Our tax dollars at work.. Steve Sidner Eppley Institute, University of Nebraska Medical Center 600 S. 42nd St., Omaha, NE, 68198-6805, U.S.A. (402) 559-4921, FAX: (402) 559-4651 ssidner@unmc.edu ssidner@unmcvm.bitnet From mercie@med.cornell.edu Fri Jan 7 14:48:11 1994 Received: from cumc.cornell.edu for mercie@med.cornell.edu by www.ccl.net (8.6.4/930601.1506) id NAA24239; Fri, 7 Jan 1994 13:49:42 -0500 Received: from localhost (mercie@localhost) by cumc.cornell.edu (8.6.4/ECH1.13) id NAA11601; Fri, 7 Jan 1994 13:48:04 -0500 Date: Fri, 7 Jan 1994 13:48:03 -0500 (EST) From: Gustavo Mercier Subject: MAC emulator in SGI machine? To: chemistry@ccl.net Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, Netters! What follows is probably of general interest .... You may have a similar problem given our extensive use of graphics and numerical data. I own an old Mac (actually a Mac II System 7 with pmmu 8MB), but a new SGI (INDIGO R4000 Elan). They are connected through thin ethernet. I usually connect to the SGI using Versaterm Pro (vt100 emulation) from the Mac. Leaving the Graphics terminal open. For most of my needs this is ok. I am looking for desktop publishing/presentation graphics software, and favor many of the Mac products, in spite of the presentation graphics software available in the SGI (which I feel is not as flexible). My old Mac has none of the graphics needed for the desktop publishing / presentation graphics software, but investing in a new Mac just for the graphics seems wasteful given the SGI. *** Are you aware of an emulator that would run Mac software in the SGI? Or SGI software capable of reading Mac files from programs like MSWORD. Reading Mac graphics files into the SGI is not that difficult since they both swallow postscript files. *** gus mercier mercie@cumc.cornell.edu From DASILVA@vms.ucc.okstate.edu Fri Jan 7 15:48:08 1994 Received: from vms.ucc.okstate.edu for DASILVA@vms.ucc.okstate.edu by www.ccl.net (8.6.4/930601.1506) id PAA25321; Fri, 7 Jan 1994 15:40:25 -0500 From: Received: from vms.ucc.okstate.edu by vms.ucc.okstate.edu (PMDF V4.2-10 #4201) id <01H7EKTEFFGW8WWYOL@vms.ucc.okstate.edu>; Fri, 7 Jan 1994 14:42:56 CST Date: Fri, 07 Jan 1994 14:42:56 -0600 (CST) Subject: help on Mopac6 for dos To: chemistry@ccl.net Message-id: <01H7EKTEG8EQ8WWYOL@vms.ucc.okstate.edu> X-VMS-To: IN%"chemistry@ccl.net" MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Dear netters: I am new in the net, and in computer Chemistry. I just got MOPAC6 for DOS by ftp at www.ccl.net, but I am not able to run the program in my PC. If someone knows how to use that program in DOS environment, I will be very thankfull for any help. Sebastiao da Silva DASILVA@OSUVMS.BITNET From sienny@water.lbl.gov Fri Jan 7 17:48:10 1994 Received: from water.lbl.gov for sienny@water.lbl.gov by www.ccl.net (8.6.4/930601.1506) id RAA26097; Fri, 7 Jan 1994 17:02:45 -0500 From: Received: by water.lbl.gov (AIX 3.2/UCB 5.64/4.03) id AA15716; Fri, 7 Jan 1994 13:57:16 -0800 Date: Fri, 7 Jan 1994 13:57:16 -0800 Message-Id: <9401072157.AA15716@water.lbl.gov> To: chemistry@ccl.net Subject: looking for graphics Cc: sienny@water.lbl.gov Dear netter, I need some informations for graphic softwares which have the following properties: 1. Supported by IBM AIX RISC/6000. 2. Able to draw atoms or molecules from Z-matrices or cartesian coordinates. 3.Publication quality contour maps, mesh plots, histograms (3D is the best)... 4.Somewhat like matlab but not quite. If there is anyone who knows or is using any of the "powerful" softwares, please give me some suggestions. Any response will be appreciated. Thanks a lot in advance. Sienny Shang sienny@water.lbl.gov