From chemistry-request- at -ccl.net Wed Jul 30 11:01:52 2003
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From: "Masao Masamura" <tokin-.at.-mx3.tiki.ne.jp>
To: "Peter Oledzki" <peter-.at.-bioinformatics.leeds.ac.uk>
Cc: <chemistry-.at.-ccl.net>
References: <03073012130100.31948 $#at#$ bmbpcu21>
Subject: Re: CCL:Standard Bond Lengths?
Date: Thu, 31 Jul 2003 00:21:12 +0900
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Dear Peter Oledzki,

The following article may be useful:

J. A. Pople and M. Gordon, J. Am. Chem. Soc. 89, 4253(1967).

Best regards,

M. Masamura


> Hello CCLers,
>
> I'm looking for standard bond lengths between various atoms in organic
> molecules. I'm using these bond lengths in a molecular mechanics force
field
> (GRID) for flexible ligand docking. I require bond lengths between each
atom
> type i.e. an aromatic carbon and an sp3 NH group with a lone pair etc etc
>
> Does anybody know of any resources avialable ? Like a database or
websites?
>
> Any help on this matter would be greatly appreciated
>
> Cheers
>
> Peter