Ghemical is computational chemistry package, which is licensed under
. The ghemical authors are listed
Ghemical is implemented using the C++ programming language, and it has
a graphical user interface which utilizes the
graphics interface and the
multiplatform widget library. Here are some features of the program:
Compute energy and gradient using :
quantum mechanical methods
Ab Initio methods provided by MPQC.
Semi-Empirical methods provided by MOPAC7.
molecular mechanics methods
all-atom MM methods (Tripos 5.2 + others).
coarse-grained MM for protein molecules  (work in progress).
optional distance constraints can be applied in MM calculations.
Options for studying a molecular system using :
Conformational Searching :
Monte Carlo Search.
Other options for QM methods :
Stationary State Search.
Transition State Search.
Interfaces to external programs :
Many file import/export features provided by OpenBabel.
OpenGL graphics presentations :
molecular graphics presentations :
Van der Waals.
molecular editing tools :
add and remove atoms and bonds.
add or remove Hydrogens automatically.
sequence builder and identifier :
nucleic acid sequences.
measurement tools for measuring :
visualization options :
protein ribbon models.
interactive graphing options :
Energy vs. torsion plot.
Energy vs. 2 torsions plot.
energy level diagram plot.
reaction coordinate plot.
"Project View" for viewing/editing the model and related information.
Text window for text-formatted output and logging, and a text command parser/interpreter.
Molecular Weight calculator.
MD Trajectory file viewer.
The graphical user interface, and an example molecule (acetylsalicylic acid).
Different views and graphics rendering options demonstrated.
Protein ribbon models and a stereo display feature demonstrated.
Since the GTK+ environment can be ported to several operating systems, the program is portable as well
(the screenshot is from a Windows/Cygwin system).