Molby is a unique, open source and easy to use application for building molecular models as a graphic model.
Molby is able to import and export files for other computational chemistry softwares such as GAMESS and Gaussian.
Molby can also edit molecules using scripts running within the built-in Ruby interpreter.
What's New in This Release: [ read full changelog ]
· Ruby: Dialog#filter_kit is implemented.
· Crash when loading a new molecule was fixed.
· ORTEP export did not generate the same orientation as in the screen. Fixed.
· Ruby: Molecule#bond_par, angle_par, dihedral_par, improper_par, vdw_par are made obsolete, and instead MDArena#bond_par, angle_par, dihedral_par, improper_par, vdw_par are implemented. These methods returns the 'cached' parameters in the MDArena. The ParameterRef record for these parameters have a negative index, which represents the parameter belongs to the MDArena instead of the molecule.
· Opening bond/angle/dihedral/improper table now triggers search of MD parameters (but not rebuilding angle/dihedral/improper tables from bond information)
· Handling of view-related attributes of Molecule is improved (specifically, methods like Molecule#show_periodic_image= now work).
· Best-fit plane dialog is not working in Windows; fixed.
· Some fields in md_arena were not properly copied when a molecule is duplicated. Fixed.
· 'Show Graphite' c...