Re: CCL:starburst dendrimers coordinates
- From: "Ernest Chamot" <echamot "at@at"
xnet.com>
- Subject: Re: CCL:starburst dendrimers coordinates
- Date: Mon, 6 Nov 95 18:02:03 CST
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@at" CMUVM
EC
---
Ernest Chamot
Consultant in Computational Chemistry Applications
Chamot Laboratories, Inc.
530 E. Hillside Rd.
Naperville, Illinois 60540
echamot "at@at" xnet.com