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From: Rajarshi G. <rx...@ps...> - 2004-11-23 13:35:54
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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? ------------------------------------------------------------------- Rajarshi Guha <rx...@ps...> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- 186,282 miles per second: It isn't just a good idea, it's the law! |