From: Egon W. <ego...@gm...> - 2008-08-03 06:15:48
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On Sun, Aug 3, 2008 at 3:55 AM, Matt Sprague <mes...@gm...> wrote: > I'm getting ready to upload the point group detector and as part of > procedure the structure is checked to see if it is linear or planar. I > didn't see anything in the CDK to do this but before I upload the > class that has these methods I wanted to make sure I didn't miss > anything. Is there already a way to do this with the CDK? If not, > given that these methods are useful for more than just symmetry > perception is there an existing class I should add them to? Upload it to a branch, so that people can see the details... Egon -- ---- http://chem-bla-ics.blogspot.com/ |