From ccl@www.ccl.net Wed Apr 30 11:39:47 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id KAA07223; Wed, 30 Apr 1997 10:59:19 -0400 (EDT) Received: from gatekeeper.roche.com for JANET.CICARIELLO-COOK@roche.com by bedrock.ccl.net (8.8.3/950822.1) id KAA26689; Wed, 30 Apr 1997 10:59:16 -0400 (EDT) Received: by gatekeeper.roche.com (5.65v3.2/fma-120691); id AA14433; Wed, 30 Apr 1997 10:57:47 -0400 Received: from rnudnb.nut.roche.com by mailgate.roche.com; (5.65v3.2/1.1.8.2/20Mar96-0227PM) id AA05891; Wed, 30 Apr 1997 10:59:17 -0400 Received: from mr.nut.roche.com by rnuc01.nut.roche.com (PMDF V5.0-6 #9043) id <01IIBBFGISCW8WWXAF@rnuc01.nut.roche.com> for chemistry@ccl.net; Wed, 30 Apr 1997 10:57:47 -0500 (EST) Received: with PMDF-MR; Wed, 30 Apr 1997 10:53:45 -0500 (EST) Mr-Received: by mta RNIS08; Relayed; Wed, 30 Apr 1997 10:53:45 -0500 Mr-Received: by mta RNUC01; Relayed; Wed, 30 Apr 1997 10:57:45 -0500 Alternate-Recipient: prohibited Date: Wed, 30 Apr 1997 10:53:43 -0500 (EST) From: JANET CICARIELLO-COOK 57165 Subject: Substructure Searching in FileMaker Pro To: chemistry@ccl.net Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; CHARSET=US-ASCII Content-Transfer-Encoding: 7BIT Posting-Date: Wed, 30 Apr 1997 10:53:45 -0500 (EST) Importance: normal Priority: normal Ua-Content-Id: E1363IUY2CPNE X400-Mts-Identifier: [;54350103407991/570099@RNISD0] A1-Type: MAIL Hop-Count: 2 Hi everyone, We use FileMaker Pro extensively, for example, storing structures and data related to a specific project. The one thing that our Chemists would like to be able to do is a substructure search of the molecules in the FileMaker Pro database. I know this cannot be done the same way as using the "Find" option to search for something in a data field. Does anyone have a workaround? Using other software (such as ChemFinder, etc)? Or via a script (FMPro and/or AppleScript)? I have thought about trying to write something (maybe an AppleScript???) to do the searches based on SMILES strings, but since SMILES strings are not unique I don't know if this would work. I should mention that the moleculess in the FileMaker Pro databases are all ChemDraw structures. Thanks in advance for your help. I will summarize the responses to the list if anyone is interested. Janet ********************************************* * Janet Cicariello-Cook, Ph.D. * * Hoffmann-LaRoche, Inc. * * 340 Kingsland St. * * Nutley, NJ 07110 * * ph: (201) 235-7165 * * fax: (201) 235-7292 * * e-mail: janet.cicariello-cook@roche.com * ****************************************************