Actually, I did the original marching cubes implementation. With all the work that Bob did on surfaces he may have ended up redoing it.
My recollection is that it did *not* calculate volume. However, it seems to me that it would be straightforward to do. I suspect that any "partial" boxes could be counted as 1/2 a cubic unit. Miguel On Tue, Jun 7, 2011 at 11:35 AM, Egon Willighagen <egon.willigha...@gmail.com> wrote: > Hi Bob, > > I know you (right?) implemented the marching cubes algorithm to > calculate molecular surfaces... does you code also calculate the > molecular volume? > > Egon > > -- > Dr E.L. Willighagen > Postdoctoral Researcher > Institutet för miljömedicin > Karolinska Institutet (http://ki.se/imm) > 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 > > ------------------------------------------------------------------------------ > EditLive Enterprise is the world's most technically advanced content > authoring tool. Experience the power of Track Changes, Inline Image > Editing and ensure content is compliant with Accessibility Checking. > http://p.sf.net/sfu/ephox-dev2dev > _______________________________________________ > Jmol-developers mailing list > Jmol-developers@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-developers > ------------------------------------------------------------------------------ EditLive Enterprise is the world's most technically advanced content authoring tool. Experience the power of Track Changes, Inline Image Editing and ensure content is compliant with Accessibility Checking. http://p.sf.net/sfu/ephox-dev2dev _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
