Hi Nick, Possibly toss the map over into pcl http://www.pointclouds.org/ which has algorithms based on FLANN http://www.cs.ubc.ca/research/flann/ and Eigen http://eigen.tuxfamily.org/index.php?title=Main_Page and optionally dependent on QHull http://www.qhull.org/, http://wiki.ros.org/openni_kinect and https://developer.nvidia.com/cuda-zone These are c++ and are very powerful. pcl and FLANN have python bindings however I've only worked with the c++ API Not sure if there are python bindings for QHull but it is where Delaunay triangulation, Voronoi diagram gets done. if I have the time I'd gut cctbx of its custom data structures and base it on all of the above Also for any glue adaptations Cython http://cython.org/ should be considered On 02/11/2015 04:49 AM, Nicholas Pearce wrote:

Hi Everyone,

I'm trying to partition a grid/space based on smallest distance to atomic sites - as in a voronoi diagram (http://en.wikipedia.org/wiki/Voronoi_diagram).

Is there any code in cctbx that could be used to accomplish this?

Thanks, Nick

Nicholas Pearce, DPhil Student, Structural Genomics Consortium, University of Oxford

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