[Cdk-devel] Re: [Molecularmechanics] CML info on the Wiki

[Egon Willighagen]

On Tuesday 02 December 2003 19:39, Peter Murray-Rust wrote:
> At 11:51 02/12/2003 +0100, Konrad Hinsen wrote:
> >How does this work in practice? Has anyone developped CML-enabled programs
> >without the active help from the CML development team?
>
> Yes. The CDK/Jmol/JChempaint (Java) groups have all based their reference
> I/O on CML and written their own toolkits. 

The algorithms for reading CML1/2 used in CDK are described in:

E.L.Willighagen, "Processing CML conventions in Java", Internet Journal of 
Chemistry, V4, 2001

> JOElib (Java) has also created a
> large CML library based solely on the CML Schema published earlier this
> year. 

JOELib is using the CML reading library from CDK, with a few slight changes to 
support for SDF like files with properties (in CML1 format).

regards,

Egon