[Rdkit-devel] changes to dummy atom handing
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2008-04-06 10:45:29
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Dear All, Another quick note about a small change that may have large repercussions: I just checked in (rev594) the next step in the change in dummy atom handling that was started in the last release. Here's an explanation from the release notes: - Support for supplying dummy atoms as "[Du]", "[X]", "[Xa]", etc. is now considered deprecated. In this release a warning will be generated for these forms and in the next release the old form will generate errors. Note that the output of dummy atoms has also changed: the default output format is now "*". (feature request 186217) Best Regards, -greg |