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.
MoleculeViewer
View 3D molecule structure and plot 2D density map for CRYSTAL program
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buckycages
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