From echamot # - at - # xnet.com Mon Nov 6 19:16:45 1995 Received: from flood.xnet.com for echamot # - at - # xnet.com by www.ccl.net (8.6.10/950822.1) id TAA04556; Mon, 6 Nov 1995 19:05:36 -0500 Received: from echamot.xnet.com by flood.xnet.com (8.7/XNet-1.4R) with SMTP id RAA00437; Mon, 6 Nov 1995 17:56:35 -0600 (CST) Message-ID: Date: Mon, 6 Nov 95 18:02:03 CST From: "Ernest Chamot" Subject: Re: CCL:starburst dendrimers coordinates To: "Gustavo A. Mercier, Jr." , chemistry #at# www.ccl.net X-Mailer: VersaTerm Link v1.1.6 Hi Gustavo, Your in luck! >Before I rediscover the wheel I would like to know if anyone is aware of >a program to generate coordinates for a starburst dendrimer given >its core and unit fragments. Alternatively, is there a repository of >some of these coordinates, similar to those for C60? I don't know about a repository of coordinates, but there was a poster given just last week at the Midland Section ACS meeting on exactly that: software they have developed and are using to build dendrimers for modeling. I believe they are up to 7th generation dendrimers and higher, depending on whether you use a divergent synthesis or a convergent synthesis. The email address I have for Leela Rakesh, at Central Michigan University, is: 37WLWOO:~at~:CMUVM EC --- Ernest Chamot Consultant in Computational Chemistry Applications Chamot Laboratories, Inc. 530 E. Hillside Rd. Naperville, Illinois 60540 echamot |-at-| xnet.com