[Cdk-devel] adding a RemoveHydrogen funtion

[Rajarshi G. <rx...@ps...>]

Hi, would it be possible to add a method to the AtomContainer class that
can be used to remove hydrogens from an AtomContainer?

I realise this is trivial (3 or 4 line) method, but I've been using it a
number of times in my code and I could make my own library of helper
functions - but it seems useful enough to include it in the CDK.

If agreeable, would it go in AtomContainer or AtomContainerManipulator?

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Rajarshi Guha <rx...@ps...> <http://jijo.cjb.net>
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