ChemCraft is a Windows-based graphical program for working with quantum chemistry calculations. It is an affordable and convenient tool for visualization of chemical data and preparing new jobs for calculation. ChemCraft is mainly developed as a graphical user interface for Gamess (US version) and Gaussian program packages. For working with other formats of calculations, the possibility to import/export coordinates of atoms in text format can be easily used. ChemCraft does not perform it's own calculations, but can significantly facilitate usage of widespread quantum-chemical packages.

            The main program capabilities are:

-         Rendering 3-dimensional pictures of molecules by atomic coordinates with possibility to examine or modify any geometrical parameter in the molecule (distance, angle);

-         Visualization of Gamess or Gaussian output files: representation of individual geometries from the file (optimized structure, geometry of each optimization step, etc), animation of vibrational modes, graphical representation of gradient (forces on nucleus), visualization of molecular orbitals in the form of isosurfaces or colored planes, and some other features;

-         Different tools for constructing molecules and modifying molecular geometry: using standard molecular fragments, "dragging" atoms or fragments on the molecule's image, setting a point group, and other possibilities;

-         Producing publication-ready images of molecules in customizable display modes, containing required designations (labels, lines, etc);

-         Some additional utilities for preparing input files: visual construction of Z-matrixes, automatic generation of input files with non-standard basis sets.

            The program combines advanced graphical user interface and wholesome features designed for practical use. ChemCraft provides very detailed structured visualization of output files, based on dividing a file into separate elements and presenting them in hierarchical multi-level list; this feature allows to easily analyze complicated files, such as scan jobs, IRC-jobs, or multi-job calculations. The graphical engine of ChemCraft does not require any hardware acceleration.  

            ChemCraft is a commercial software. Its current cost is 105 USD for academic users and 190 USD for others. Reduced freeware version of ChemCraft with some limitations and nag-screens is also available.

Authors of ChemCraft:

Programming:                                Grigoriy A. Zhurko.

Design, additional support:                 Denis A. Zhurko.

Web programming:                       Alexander Romanov.

Special thanks to I. N. Senchenya for advice.  

 

            The program can be downloaded at this webpage:

  http://www.chemcraftprog.com/download.html.