Re: [Cdk-devel] Atom Type Lists in CML2

[Peter Murray-R. <pm...@ca...>]

At 09:18 26/04/2004 +0200, E.L. Willighagen wrote:
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>On Sunday 25 April 2004 23:41, Peter Murray-Rust wrote:
> > At 20:42 25/04/2004 +0200, Egon Willighagen wrote:
> > >The atom type lists that used to be in XML, are still in XML, but now in
> > > CML2 format, instead of the custom format.
> >
> > Thanks - where do they live? I would be interested to see how atomtypes are
> > managed.
>
>See CVS: cdk/config/*.xml

Those look a very nice use of cml:atomType - thanks! Henry and I are 
currently writing this up.


>Or via web:
>
>http://cvs.sourceforge.net/viewcvs.py/cdk/cdk/src/org/openscience/cdk/config/
>
>E.
>
>- --
>eg...@sc...
>PhD on Molecular Representation in Chemometrics
>Nijmegen University
>http://www.cac.sci.kun.nl/people/egonw/
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Peter Murray-Rust
Unilever Centre for Molecular Informatics
Chemistry Department, Cambridge University
Lensfield Road, CAMBRIDGE, CB2 1EW, UK
Tel: +44-1223-763069