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A Java sotware for viewing 3D molecule structure and plotting 2D density map. The atomic positions (coordinates) are read from files for the CRYSTAL and GAUSSIAN programs.
Supported files:
1. *.xyz (molecule cartesian coordinates file)
2. *.gjf (GAUSSIAN's input file)
3. *.out (CRYSTAL98&2k's scf or properties output file)
4. fort.25 (CRYSTAL98&2k's ECHG(Electronic Charge Density) outpit file with fort.25 format).
Molecule's 3D operations:
Left drag : free rotate
Right drag : zoom
Left drag + CTRL : rotate along X-axis
Left drag + SHIF T: rotate along Y-axis
Left drag + ALT : rotate along Z-axis
Left click : select and deselect atom
Right click : select and deselect atom and show selected atom's serial number
Doubble click : show all serial numbers
Doubble click + CTRL : show molecule's axes
When a atom is selected, you can see the distance between the two atoms by moving the mouse over the second atom.
Project Samples
