Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
I i open the attached logfile and I create a Gaussian inputfile(Extensions -> Gaussian) which uses the z-matrix the coordinates are wrong. In this case the rings are turned 66.2 degrees.
If I use the cartesian format it's fine, but it seems the z-matrix algorithm is broken.
I i open the attached logfile and I create a Gaussian inputfile(Extensions -> Gaussian) which uses the z-matrix the coordinates are wrong. In this case the rings are turned 66.2 degrees.
If I use the cartesian format it's fine, but it seems the z-matrix algorithm is broken.
Tested on linux and windows.
Reported by: *anonymous