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Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts. OpenBabel import of files, input generation for multiple computational chemistry packages, X-ray crystallography, and biomolecules.
1997 () (1.0 Full ... MDL Chime was a free plugin used ... Accelrys announced in 2012 that Chime was no longer supported and would remain available for download ...
This is a list of free and open-source software packages (), computer software licensed under free software licenses and open-source licenses.Software that fits the Free Software Definition may be more appropriately called free software; the GNU project in particular objects to their works being referred to as open-source. [1]
Moodle (/ ˈ m uː d əl / MOO-dəl) is a free and open-source learning management system written in PHP and distributed under the GNU General Public License. [3] [4] Moodle is used for blended learning, distance education, flipped classroom and other online learning projects in schools, universities, workplaces and other sectors. [5] [6] [7]
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
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
A notable molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space , via 2D computer graphics or 3D computer graphics , respectively.
Mercury is available as a free download software and full version Mercury with more advanced features available with a CSD licence, advanced features are disabled in the absence of such a licence. Cambridge Crystallographic Data Centre (CCDC) provides CSD licence to academic institutions.