> While I like cartesian coordinates, I don't think cartesian cifs need to be > supported in cases where a unit cell is specified. But this is just coming > from my own experience- I've never seen people use cartesian cifs.
IIRC, the development code uses this heuristic -- if there is a unit cell, the CIF will have fractional coordinates. -Geoff ------------------------------------------------------------------------------ Get 100% visibility into Java/.NET code with AppDynamics Lite! It's a free troubleshooting tool designed for production. Get down to code-level detail for bottlenecks, with <2% overhead. Download for free and get started troubleshooting in minutes. http://pubads.g.doubleclick.net/gampad/clk?id=48897031&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
