Subject: Re: CCL:molecule fragmentation code

From: "Isaac B. Bersuker" <[email-masked]>
Date: Fri, 24 Jul 1998 08:56:04 -0500

If you look for methods (algorithms) of such fragmentation, see our
paper in Internat. J. Quant.Chem. 63 (1997) 1051-63.
Regards
Isaac Bersuker

Rino Ragno wrote:

> Hi to everyone,
>
> I am looking for a code to fragment a given molecule into chunks. The
> fragments should have the breaking point in common.
>
> Is any of you aware of such a piece of code (better if in C)?
>
> Thanks to all.
>
> -- Rino Ragno
>
> ++----------------------------------------------------------------------++
> ++----------------------------------------------------------------------++
> ||                                                                      ||
> ||  Dr. Rino Ragno                      E-mail: [email-masked]       ||
> ||  Institute for Biomedical Computing      or: [email-masked]      ||
> ||  Center for Molecular Design             or: [email-masked]  ||
> ||  Box8036, Washington University      Phone : 314-362-2272            ||
> ||  700 South Euclid Avenue             FAX   : 314-362-0234            ||
> ||  St. Louis, Missouri 63110                                           ||
> ||  U. S. A.                                                            ||
> ||                                                                      ||
> ||       WEB PAGE   : www.ibc.wustl.edu/cmd/people/rino/rino.html       ||
> ||                                                                      ||
> ++----------------------------------------------------------------------++
> ++----------------------------------------------------------------------++
>
> ---
> Administrivia: This message is automatically appended by the mail exploder:
> [email-masked]: Everybody | [email-masked]: Coordinator
> [email-masked]: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73
> Anon. ftp: www.ccl.net   | [email-masked] -- archive search
>              Web: http://www.ccl.net/chemistry.html
> ---