Chemcraft is a program used in visualizing quantum chemistry computations. This application is originally developed as an interface for Games and Gaussian programs, but has since evolved into an educational tool for teaching quantum chemistry. In addition to the two programs mentioned, this application also works with output files from Molpro, Jaguar, NEChem, QChem, and Orca.
This program’s key features are the following:
• Tools for molecule construction and molecular geometry modification – users can drag atoms or atom fragments onto a molecule. Users can also set a point group to work on.
• 3D rendering – users can create three-dimensional images of molecules using atomic coordinates. Users can also modify geometrical parameters such as distances and angles in a particular molecule.
• Tools for publication – the program provides users with customizable display modes where users can edit and modify lines and labels on the created images of molecules.
• Visualization tools for files made using other applications – Chemcraft allows users to use output files from programs such as Jaguar, Gaussian, and Dalton and create animated vibrational modes, display molecular orbitals using colored planes, and show the forces acting upon a nucleus using gradients. Users may also use this program to visualize individual geometries and electronic spectra.