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2. GAMESS (US) - Wikipedia

   en.wikipedia.org/wiki/GAMESS_(US)

   The GAMESS (US) software also provides a comprehensive bonding analysis technique based on the Quasi-Atomic Orbital (QUAO) analysis proposed by professor Klaus Ruedenberg. The QUAO analysis provides a quasi-atomical perspective of bonding molecular orbitals in molecules. These are oriented orbitals which show the bonding direction.

3. Comparison of software for molecular mechanics modeling

   en.wikipedia.org/wiki/Comparison_of_software_for...

   Free open source: Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods

4. List of molecular graphics systems - Wikipedia

   en.wikipedia.org/wiki/List_of_molecular_graphics...

   Free open-source: Java 3D applet or standalone program: Ovito: MM XRD EM MD: Free open-source: Python [13] [14] PyMOL: MM XRD SMI EM: Open-source [15] Python [16] [self-published source?] According to the author, almost 1/4 of all published images of 3D protein structures in the scientific literature were made via PyMOL. [citation needed ...

5. List of computer simulation software - Wikipedia

   en.wikipedia.org/wiki/List_of_computer...

   Scilab - free open-source software for numerical computation and simulation similar to MATLAB/Simulink. SDC Verifier - structural design and finite element analysis software with a calculation core for checking structures according to different standards, either predefined or self programmed, and final report generation with all checks.

6. Messiah (software) - Wikipedia

   en.wikipedia.org/wiki/Messiah_(software)

   Speed - Messiah has OpenGL playback and real-time previewing of fully subdivided models, particle systems and dynamics objects. [1] [2]Flexibility - Messiah offers modular interoperability with many major packages, allowing users to make animation modifications in either messiah:studio or a host program and see instant feedback and updates in the other package.

7. Tinker (software) - Wikipedia

   en.wikipedia.org/wiki/Tinker_(software)

   Tinker, previously stylized as TINKER, is a suite of computer software applications for molecular dynamics simulation. The codes provide a complete and general set of tools for molecular mechanics and molecular dynamics, with some special features for biomolecules.

8. GAMESS - Wikipedia

   en.wikipedia.org/wiki/GAMESS

   GAMESS is a computational chemistry software program and stands for General Atomic and Molecular Electronic Structure System.The original Quantum Chemistry Program Exchange (QCPE) code of GAMESS split in 1981 and now the three version differ considerably:

9. Avogadro (software) - Wikipedia

   en.wikipedia.org/wiki/Avogadro_(software)

   This free and open-source software article is a stub. You can help Wikipedia by expanding it.