From spacegrp@wchat.on.ca Fri Apr 14 01:29:40 1995 Received: from barb.wchat.on.ca for spacegrp@wchat.on.ca by www.ccl.net (8.6.10/930601.1506) id BAA06120; Fri, 14 Apr 1995 01:25:03 -0400 Received: from (wchat.on.ca [204.138.239.10]) by barb.wchat.on.ca (8.6.5/8.6.5) with SMTP id AAA10780 for ; Fri, 14 Apr 1995 00:23:48 -0100 Date: Fri, 14 Apr 1995 00:23:48 -0100 Message-Id: <199504140123.AAA10780@barb.wchat.on.ca> X-Sender: spacegrp@wchat.on.ca (Unverified) Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@ccl.net From: spacegrp@wchat.on.ca (AtomicSoftek@wchat.on.ca) Subject: Space Groups X-Mailer: Dear CCL subscribers: Atomic Softek is pleased to announce the availability of Space Groups for Windows version 2.2. This user-friendly program presents the spatial structures (the general & special positions) and symmetry elements of the 230 space groups by tables and 3-D graphics. The Position Dialog and the Symmetry Dialog interactively display both tables and graphics on one screen. These two dialogs allow the user to view a specific position or a symmetry element. The Crystal Builder lets the user interactively build and visualize crystals with position tables. Other features include: (1) Interactive dialog box to measure the distances and angles among atoms, (2) Fractional and Cartesian coordinate output, (3) Mouse and keyboard control for 3-D translations and rotations, (4) Visualization of Miller planes, (5) Atomic color and radius editors, (6) Bond determination and drawing, (7) Dynamic memory allocation, (8) Direct print and output graphic images. Usage: teaching and research for solid state and computational scientists Computer & System Requirement: IBM Compatible PC MS Windows version 3.0 or later Contact: Atomic Softek, 604-201 Jackson Street West, Hamilton, Ontario, Canada L8P 1M2 Phone: 905-528-4506, Fax: 905-528-9084 e-mail: spacegrp@wchat.on.ca Cost to academic: The first single user computer: (US)$299 Extra computers: $89/computer Call for site license Individual buyer: $149. From tripos!metis!matt@uunet.uu.net Fri Apr 14 09:29:49 1995 Received: from relay3.UU.NET for tripos!metis!matt@uunet.uu.net by www.ccl.net (8.6.10/930601.1506) id JAA08522; Fri, 14 Apr 1995 09:18:30 -0400 Received: from uucp5.UU.NET by relay3.UU.NET with SMTP id QQylkv08456; Fri, 14 Apr 1995 09:18:21 -0400 Received: from tripos.UUCP by uucp5.UU.NET with UUCP/RMAIL ; Fri, 14 Apr 1995 09:18:24 -0400 Received: from metis.UUCP by tripos (4.1/SMI-4.0) id AA27227; Fri, 14 Apr 95 08:11:59 CDT Received: by metis.UUCP (4.0/4.7) id AA27262; Fri, 14 Apr 95 08:11:51 CDT Message-Id: <9504141311.AA27262@metis.UUCP> To: uunet!quant.chem.rpi.edu!sybyl@uunet.uu.net, uunet!ccl.net!chemistry@uunet.uu.net, uunet!umdd.umd.edu!biotech@uunet.uu.net Subject: Seminars on Mass Screening and Drug Discovery in Europe Date: Fri, 14 Apr 95 08:11:50 CDT From: Matthew Clark SEMINAR: NEW WAYS IN DRUG DISCOVERY organized by: Tripos, Panlabs, Health Design, Forefront, Silicon Graphics ------------------------------------------------------------------------------- FRANKFURT, May-8 and May-9 1995 New Ways To Extract More Information From Drug Discovery Research on Monday, May 8, 1995 in Frankfurt am Main 10.00 Introduction Dr. D. Schmidt-Base, TRIPOS (Germany) 10.15 A Complete Information Management System for Drug Discovery Dr. J. Morrell, Product Manager, TRIPOS (USA) 11.30 The Virtual Notebook System Forefront (U.S.A.) 12.20 Lunch 13.30 Demonstrations of UNITY/UNISON in a Client/Server Environment 15.00 Open Discussions and Individual Demonstrations Lead Discovery: Combinatorial Chemistry and Molecular Diversity on Tuesday, May 9, 1995 in Frankfurt am Main 10.00 Introduction Dr. M. Bohl, General Manager, TRIPOS (Germany) 10.15 Combinatorial Chemistry and Molecular Diversity Dr. S. Huston, Application Scientist, TRIPOS (U.S.A.) 11.30 Assessing Toxicity Profiles of Combinatorial Libraries Dr. Gombar, Health Design (U.S.A.) 12.20 Lunch 13.30 Contract Research: Innovative Drugs Faster with Lower Production Costs Dr. J. Peterson, Director Chemistry, Panlabs (U.S.A.) 14:30 Managing High-Throughput-Screening Data Dr. Dean Goddette, SYBYL Product Manager, Tripos (U.S.A.) 15.30 Discussions and Demonstrations Directions and location: A map will be sent together with our confirmation ------------------------------------------------------------------------ MILANO May-15 and May-16, 1995 New Ways To Extract More Information From Drug Discovery Research on Monday, May 15, 1995 in Milano/Italy 10:00 Introduction Dr. Martin Pohlchen, Tripos (Germany) 10:15 Optimizing Chemical Information from Chemists and Biologists for Drug Discovery. Dr. Jim Morrell, Tripos (U.S.A.) 11:20 The Virtual Notebook System Dr. Hofmann, Forefront (U.S.A.) 12:30 Lunch 14:00 Discussions and Demonstrations of all products (UNITY/UNISON/VNS) on Silicon Graphics and PC in a Client/Server Environment with Parrallel Searching Lead Discovery: Combinatorial Chemistry and Molecular Diversity on Tuesday, May 16, 1995 in Milano/Italy 10:00 Introduction to Combinatorial Chemistry Dr. Walter Cabri, Bristol Myers Squibb (Italy) 10:30 Combinatorial Chemistry and Molecular Diversity Dr. Hans Matter, Tripos (Germany) 11:30 Contract Research: Innovative Drugs Faster with Lower Production Costs Dr. John Peterson, Director Chemistry, Panlabs (U.S.A.) 12:30 Lunch 14:00 Assessing Toxicity Profiles of Combinatorial Libraries Dr. Gombar, Research Director, Health Design (U.S.A.) 14:45 Managing High-Throughput-Screening Data Dr. Dean Goddette, SYBYL Product Manager, Tripos (U.S.A.) 15:30 Discussions and Demonstrations of all products (Legion, Selector, Unity, Hdisq,Topkat/QSTR,BioStar) on Silicon Graphics Directions and location: A map will be sent together with our confirmation xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx Please fill out: ___________________________________________________________________________ Company ___________________________________________________________________________ Department/Building ___________________________________________________________________________ Name ___________________________________________________________________________ Street ___________________________________________________________________________ Postal Code / City ___________________________________________________________________________ Telephone and Fax Numbers ____________________________________________________________________________ E-Mail ___________________________________________________________________________ Please return confirmation to: TRIPOS GmbH, Martin-Kollar-Str. 15, D-81829 Munich Attn: Marlene Seubert Fax No.: ++49 89 45 10 30 30, Tel. No.: ++49 89 45 10 30 19 E-mail: mseubert@tripos.com or 100433,2565@compuserve.com ------------------------------------------------------------------------------- I will attend your seminar May-8, Frankfurt / Germany ---------- May-9, Frankfurt / Germany ---------- May 15th, Milano / Italy ---------- May 16th, Milano / Italy ---------- I will bring ______colleagues. Unfortunately I am unable to attend. Please send me information on___________. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx We are looking forward to meeting you ! From zhy@pchsgi25.IPC.PKU.EDU.CN Fri Apr 14 09:44:48 1995 Received: from pchsgi25.IPC.PKU.EDU.CN for zhy@pchsgi25.IPC.PKU.EDU.CN by www.ccl.net (8.6.10/930601.1506) id JAA08788; Fri, 14 Apr 1995 09:35:11 -0400 Received: by pchsgi25.IPC.PKU.EDU.CN (911016.SGI/911001.SGI) for chemistry@ccl.net id AA18544; Fri, 14 Apr 95 13:36:07 GMT Date: Fri, 14 Apr 1995 21:36:06 +0800 (SST) From: Zhang Hongyu To: COMP_CHEM_LIST Subject: How to link atoms in SYBYL? Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear netters, Here is a question about SYBYL. When I use SYBYL to read a molecular coordinate file, such as PDB file, sometimes many peptide atoms were discret in the screen, without bond linked to each other. I know there is a menu in QUANTA able to link them together with algorithms such as distance search. I wonder if there is any similar function in SYBYL. Thanks for your helpful advices. Henry H. Zhang ---------------------------------------------------------------------- Henry Hongyu Zhang, Ph.D. student | email: zhy@pchsgi25.ipc.pku.edu.cn Molecular Design Laboratory | Tel: 861-2501490 Institute of Physical Chemistry | Fax: 861-2501725 Peking University | Peking 100871 , China | ----------- Too stiff, easily broken Too soft, easily crashed ------------ old Chinese Saying From stuart@wucmd.wustl.edu Fri Apr 14 13:44:50 1995 Received: from wugate.wustl.edu for stuart@wucmd.wustl.edu by www.ccl.net (8.6.10/930601.1506) id NAA13753; Fri, 14 Apr 1995 13:35:40 -0400 Received: from wucmd (wucmd.wustl.edu [128.252.137.1]) by wugate.wustl.edu (8.6.11/8.6.11) with SMTP id MAA07340 for <@wugate.wustl.edu:CHEMISTRY@ccl.net>; Fri, 14 Apr 1995 12:35:37 -0500 Received: by wucmd (931110.SGI/911001.SGI) for @wugate.wustl.edu:CHEMISTRY@ccl.net id AA04048; Fri, 14 Apr 95 11:23:27 -0500 Date: Fri, 14 Apr 1995 11:16:02 -0500 (CDT) From: Stuart Green Subject: Journal of Computer-Aided Molecular Design To: CHEMISTRY@ccl.net Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII ESCOM Publishers B.V. in collaboration with the Center for Molecular Design present an experimental Web based version of the The Journal of Computer-Aided Molecular Design. http://wucmd.wustl.edu/jcamd/jcamd.html This server carries complete articles (equations, text and figures all included) from Volume 9 Number 1 (February 1995), Number 2 coming soon. We welcome your feedback regarding the presentation of such media on WWW. Any thoughts or comments please email jcamd@wucmd.wustl.edu --- Stuart M. Green stuart@wucmd.wustl.edu Center for Molecular Design Campus Box 1099 Washington University Tel 314-935-4671 St. Louis, MO 63130-4899 Fax 314-935-4979 From M_CASIANO@UPR1.UPR.CLU.EDU Fri Apr 14 19:29:59 1995 Received: from UPR1.UPR.CLU.EDU for M_CASIANO@UPR1.UPR.CLU.EDU by www.ccl.net (8.6.10/930601.1506) id TAA18988; Fri, 14 Apr 1995 19:15:05 -0400 Date: Fri, 14 Apr 95 19:17 AST From: "MILTON L. CASIANO" Subject: CCL: General Chemistry labs with computers? To: chemistry@ccl.net Message-id: <11DB1C14B9DF41F2C4@UPR1.UPR.CLU.EDU> X-Envelope-to: chemistry@ccl.net X-VMS-To: IN%"chemistry@ccl.net" X-VMS-Cc: M_CASIANO Dear netters, I need some information of labs experiments with computers for General Chemistry students. Please reply this information to me or if you know a file with this information, tell me how I can get it. Thanks, Milton L. Casiano University of Puerto Rico General Sciences Department PO Box 21434 San Juan, PR 00931-1434 Pho. (809) 783-6630 m_casiano@upr1.upr.clu.edu From raman@bioc01.uthscsa.edu Fri Apr 14 19:44:54 1995 Received: from thorin.uthscsa.edu for raman@bioc01.uthscsa.edu by www.ccl.net (8.6.10/930601.1506) id TAA19267; Fri, 14 Apr 1995 19:37:14 -0400 Received: from bioc01.uthscsa.edu by thorin.uthscsa.edu with SMTP; Fri, 14 Apr 1995 18:40:59 -0500 (CDT) Received: by bioc01.uthscsa.edu (4.1/SMI-4.1) id AA00174; Fri, 14 Apr 95 18:37:17 CDT From: raman@bioc01.uthscsa.edu (C.S.RAMAN) Message-Id: <9504142337.AA00174@bioc01.uthscsa.edu> Subject: Fractal dimension analysis... To: chemistry@ccl.net Date: Fri, 14 Apr 1995 18:37:17 -0500 (CDT) X-Mailer: ELM [version 2.4 PL3] Content-Type: text Content-Length: 2033 Is anyone aware of a PD software for doing fractal analysis on images in *.pict or *.tiff formats? Basically it should be able to read in one of the images and have the capability to discriminate between an image density greater than a certain threshold and then go on to estimate the fractal index of the desired region. The method by which the latter is calculated (box-counting, pixel-dilation, calipher, etc) is unimportant, but flexibility would be an added advantage. I would appreciate any information in this regard. Cheers -raman -- _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ _/ _/ _/ C.S.RAMAN _/ _/ Department of Biochemistry _/ _/ University of Texas Health Science Center _/ _/ 7703 Floyd Curl Drive _/ _/ San Antonio, TX 78284-7760 _/ _/ USA _/ _/ _/ _/ Tel: (210) 567-6623 _/ _/ Fax: (210) 567-6595 _/ _/ E-mail: raman@bioc01.uthscsa.edu _/ _/ _/ _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ _/ _/ _/ How can it be that mathematics, a product of human thought _/ _/ independent of experience, is so admirably adapted to the _/ _/ objects of reality? -Albert Einstein _/ _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ From cpeng@scripps.edu Fri Apr 14 20:30:19 1995 Received: from scripps.edu for cpeng@scripps.edu by www.ccl.net (8.6.10/930601.1506) id UAA19865; Fri, 14 Apr 1995 20:26:06 -0400 Received: from pauli.scripps.edu by scripps.edu (5.61/1.34) id AA28108; Fri, 14 Apr 95 17:26:03 -0700 Received: by pauli.Scripps.EDU (4.1/SMI-4.1/TSRI1.0) id AA09724; Fri, 14 Apr 95 17:22:12 PDT Date: Fri, 14 Apr 95 17:22:12 PDT From: cpeng@scripps.edu (Chun Yang) Message-Id: <9504150022.AA09724@pauli.Scripps.EDU> To: CHEMISTRY@ccl.net Subject: Ullmann subgraph search Can anyone tell me where to get the source (Fortran or C) code of the implementation of the Ullmann subgraph search algorithm? Any information is highly appreciated. Chun-Yang Peng From M_CASIANO@UPR1.UPR.CLU.EDU Fri Apr 14 20:59:56 1995 Received: from UPR1.UPR.CLU.EDU for M_CASIANO@UPR1.UPR.CLU.EDU by www.ccl.net (8.6.10/930601.1506) id UAA20332; Fri, 14 Apr 1995 20:59:12 -0400 Date: Fri, 14 Apr 95 21:02 AST From: "MILTON L. CASIANO" Subject: CCL: Adrenoleukodystrophy or ADL To: chemistry@ccl.net Message-id: <11CC86E00ADF41FED7@UPR1.UPR.CLU.EDU> X-Envelope-to: chemistry@ccl.net X-VMS-To: IN%"chemistry@ccl.net" From: UPR1::M_CASIANO "MILTON L. CASIANO" 14-APR-1995 20:58:58.53 To: M_CASIANO CC: Subj: CCL: Adrenoleukodystrophy or ADL Dear netters, I'm looking for some information about ADL, or something about Lorenzo's oil. Any help will be appreciated. Milton