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Jmol
Jul 20, 2023
Java 3D viewer for chemical structures
Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program Jmol.jar, and a “headless” server-side component JmolData.jar. Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing VRML export.
See also https//sourceforge.net/projects/jmol/
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