Hi all, I've written an 3D alignment class that performs Kabsch alignment of two 3D structures (whose atoms are in the same order). It can handle symmetry and has the option to only align certain atoms (typically non-H atoms). It can also be used to align a set of arbitary vectors.
The thing is...it has a dependency on Tim's symmetry code which uses bliss. bliss is GPLv2 and available from http://www.tcs.hut.fi/Software/bliss/. My code also has a dependency on Eigen2. Now, is it okay to dump bliss into the include directory? This will, in any case, be a requirement for merging Tim's new symmetry code which I think can how handle 95% of tricky symmetry cases, and is probably ready to merge. How about Eigen2? Should I just optionally compile? - Noel ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
