On Sun, Oct 6, 2013 at 11:01 PM, John May <john.wilkinson...@gmail.com> wrote: > http://cdk.github.io/cdk/1.5/docs/api/index.html?org/openscience/cdk/Crystal.html > > "Class representing a molecular crystal. The crystal is described with > molecules in fractional coordinates and three cell axes: a,b and c."
Ah, but that *is* about molecular crystals (e.g. the crystal structure of estrone). That's because I wrote that crappy text when I was biased to such crystals... I get your point, but it's not valid, but that is my fault :) But crystals can be much more... think diamond, think PDB structures. Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 ------------------------------------------------------------------------------ October Webinars: Code for Performance Free Intel webinars can help you accelerate application performance. Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from the latest Intel processors and coprocessors. See abstracts and register > http://pubads.g.doubleclick.net/gampad/clk?id=60134791&iu=/4140/ostg.clktrk _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
