Re: [Cdk-devel] MDLReader and Isotopes

[Egon W. <ego...@gm...>]

On Fri, Nov 7, 2008 at 4:23 PM, Syed Asad Rahman <as...@eb...> wrote:
> Does the CDK MDLReader automatically read and set the isotopes (if
> mentioned) for an atom in the mol file (Does MDLWriter supports this too)?
> If yes how can one access this information?

Which bit of information do you refer to?

It does read the massDiff field... which is listed around position 35
in an atom line. (source: line 447@MDLV2000Reader@cdk1.2.x)

It also reads "M  ISO" lines (source line 630@MDLV2000Reader@cdk1.2x)

Egon

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