Re: CCL:Standard Bond Lengths?
- From: "Masao Masamura"
<tokin-.at.-mx3.tiki.ne.jp>
- Subject: Re: CCL:Standard Bond Lengths?
- Date: Thu, 31 Jul 2003 00:21:12 +0900
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