From jschoch@nanode.com Tue Dec 2 14:38:46 1997 Received: from lightning.mgl.ca for jschoch@nanode.com by www.ccl.net (8.8.3/950822.1) id OAA20006; Tue, 2 Dec 1997 14:34:55 -0500 (EST) Received: from server1.nanode.com ([206.47.227.114]) by lightning.mgl.ca (8.8.5/8.6.12) with ESMTP id OAA17114 for ; Tue, 2 Dec 1997 14:46:20 -0500 Received: by server1 with Internet Mail Service (5.0.1457.3) id ; Tue, 2 Dec 1997 14:36:46 -0500 Message-ID: From: Jean-Pierre Schoch To: "CCL (E-mail)" Subject: mdl.mol fileformat Date: Tue, 2 Dec 1997 14:36:44 -0500 X-Priority: 3 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.0.1457.3) Content-Type: text/plain Hello everyone: I want to produce a file in mdl mol and sdf format from a fortran program. Does anybody know where I can find the file specifications. Thank you Jean-Pierre Schoch jschcoch@nanode.com From mn1@helix.nih.gov Tue Dec 2 15:38:57 1997 Received: from helix.nih.gov for mn1@helix.nih.gov by www.ccl.net (8.8.3/950822.1) id PAA20302; Tue, 2 Dec 1997 15:30:44 -0500 (EST) Received: (from mn1@localhost) by helix.nih.gov (8.8.5/8.8.5) id PAA05821; Tue, 2 Dec 1997 15:30:36 -0500 (EST) Date: Tue, 2 Dec 1997 15:30:36 -0500 (EST) From: "M. Nicklaus" Message-Id: <199712022030.PAA05821@helix.nih.gov> To: CHEMISTRY@www.ccl.net Subject: Re: MDL MOL File Format Cc: jschcoch@nanode.com, mn1@helix.nih.gov On Tue, 2 Dec 1997, an-Pierre Schoch wrote: > I want to produce a file in mdl mol and sdf format from a fortran > program. Does anybody know where > I can find the file specifications. Dalby et al., J. Chem. Inf. Comput. Sci. 32(3), 244-255 (1992) Marc ------------------------------------------------------------------------ Marc C. Nicklaus National Institutes of Health E-mail: mn1@helix.nih.gov Bldg 37, Rm 5B29 Phone: (301) 402-3111 BETHESDA, MD 20892-4255 USA Fax: (301) 496-5839 http://rex.nci.nih.gov/RESEARCH/basic/medchem/mcnbio.htm Laboratory of Medicinal Chemistry, National Cancer Institute, & Lab. of Structural Biology, Div. of Computer Research and Technology ------------------------------------------------------------------------ From tj@eecs.uic.edu Tue Dec 2 16:38:49 1997 Received: from gatekeeper4.monsanto.com for tj@eecs.uic.edu by www.ccl.net (8.8.3/950822.1) id QAA20554; Tue, 2 Dec 1997 16:06:16 -0500 (EST) Received: by gatekeeper4.monsanto.com; id PAA03983; Tue, 2 Dec 1997 15:06:10 -0600 Received: from ddpc3.monsanto.com(137.35.8.13) by gatekeeper4.monsanto.com via smap (3.2) id xma003817; Tue, 2 Dec 97 15:05:47 -0600 Message-ID: <3484788C.583B@eecs.uic.edu> Date: Tue, 02 Dec 1997 15:07:24 -0600 From: "TJ O'Donnell" Reply-To: tj@eecs.uic.edu X-Mailer: Mozilla 3.01 (Win95; I) MIME-Version: 1.0 To: Jean-Pierre Schoch CC: CCL Subject: Re: mdl.mol fileformat References: Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit I thought others might be interested in this as well. MDL file formats are described at: http://www.mdli.com/prod/fileformats.html TJ O'Donnell tj@eecs.uic.edu http://www.eecs.uic.edu/~tj Jean-Pierre Schoch wrote: > > Hello everyone: > I want to produce a file in mdl mol and sdf format from a fortran > program. Does anybody know where > I can find the file specifications. > Thank you > Jean-Pierre Schoch > jschcoch@nanode.com From mbenzel@sgi.com Tue Dec 2 17:38:53 1997 Received: from sgi.sgi.com for mbenzel@sgi.com by www.ccl.net (8.8.3/950822.1) id QAA20774; Tue, 2 Dec 1997 16:43:57 -0500 (EST) Received: from cthulhu.engr.sgi.com (cthulhu.engr.sgi.com [192.26.80.2]) by sgi.sgi.com (950413.SGI.8.6.12/970507) via ESMTP id NAA02429 for <@sgi.engr.sgi.com:CHEMISTRY@www.ccl.net>; Tue, 2 Dec 1997 13:43:44 -0800 env-from (mbenzel@sgi.com) Received: from marks.engr.sgi.com (marks.engr.sgi.com [150.166.55.227]) by cthulhu.engr.sgi.com (950413.SGI.8.6.12/960327.SGI.AUTOCF) via ESMTP id NAA25342 for <@cthulhu.engr.sgi.com:CHEMISTRY@www.ccl.net>; Tue, 2 Dec 1997 13:43:43 -0800 Received: from marks (localhost [127.0.0.1]) by marks.engr.sgi.com (950413.SGI.8.6.12/960327.SGI.AUTOCF) via SMTP id NAA16002 for ; Tue, 2 Dec 1997 13:43:40 -0800 Sender: mbenzel@sgi.com Message-ID: <3484810C.15FB@sgi.com> Date: Tue, 02 Dec 1997 13:43:40 -0800 From: Mark Benzel X-Mailer: Mozilla 3.01SGoldC-SGI (X11; I; IRIX 6.3 IP32) MIME-Version: 1.0 To: CHEMISTRY@www.ccl.net Subject: Re: CCL:MDL MOL File Format References: <199712022030.PAA05821@helix.nih.gov> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Go to: http://www.mdli.com/prod/fileformats.html You can download an Adobe Acrobat file with the description of the MDL file formats. -- Mark Benzel Silicon Graphics, Inc. mbenzel@sgi.com From ascanio@salve5.salve.edu Tue Dec 2 21:38:50 1997 Received: from salve5.salve.edu for ascanio@salve5.salve.edu by www.ccl.net (8.8.3/950822.1) id VAA22025; Tue, 2 Dec 1997 21:16:51 -0500 (EST) Received: by salve5.salve.edu (AIX 3.2/UCB 5.64/4.03) id AA19768; Tue, 2 Dec 1997 21:15:12 -0500 Date: Tue, 2 Dec 1997 21:15:12 -0500 (EST) From: Ascanio DiPippo To: Richard Essery & Grazyna Oszczygiel Cc: chemistry@www.ccl.net Subject: Re: CCL:Need help English>Polish In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Don't the Poles use IUPAC ? Use Russian if necessary. Froeliche Weinachten. Ciao Fr. Ascanio, C.H.S. On Thu, 27 Nov 1997, Richard Essery & Grazyna Oszczygiel wrote: > > Hello from San Diego > > I need the Polish for the following substances. If you can help me I would > really appreciate it. If not, please forward this request on to someone who > may be able to help. > > Thanks, and if there is anything we can do for you here San Diego, please > let us know. > > Rich and Grazyna > ================================================ > ethyl isopropyl ketone > > ethylenediaminetetraacetic acid sodium salt > > hydroquinone bis(2-hydroxyethyl) ether > > poly((dimethyl > co-methyl-(6-diozo-5,6-dihydro-5-oxo-1-naphthylenesulphonylamino)propyl)silo > xane) > > propylene glycol monomethyl ether acetate > > tert-butylamine borane > > 1,3-diamino-2-propanoltetraacetic acid tetrapotassium salt > > > > > Richard Essery and Grazyna Oszczygiel > Phones: 800-770-4729 and 619-275-2932 > FAX: 619-275-1166 or 619-448-4387 > Address: 1640 N. Johnson Ave. > El Cajon, CA 92020 > CompuServe: 103330.3722@compuserve.com > Internet: gsfc@cts.com > > > > --- > Administrivia: This message is automatically appended by the mail exploder: > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > --- > >