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Windows, Linux, OS X; SVL programming language Build, edit and visualise small molecules, macromolecules, protein-ligand complexes, crystal lattices, molecular and property surfaces. Platform for extensive collection of molecular modelling / drug discovery applications.
Jmol is computer software for molecular modelling of chemical structures in 3 dimensions. [2] It is an open-source Java viewer for chemical structures in 3D [ 3 ] . The name originated from [ J ]ava (the programming language) + [mol]ecules, and also the mol file format .
To display molecules with Jmol, your browser needs to be Java enabled. Two examples of Jmol images in a wiki are here and here. These use Jmol to show medium sized molecules with buttons to control the rotation of the molecules. The right mouse button opens a Jmol menu while the left mouse button can be used to move the image.
Molecule builder-editor for Windows, Linux, Unix, and macOS. All source code is licensed under the GNU General Public License (GPL) version 2. Supported languages include: Chinese, English, French, German, Italian, Russian, Spanish, and Polish. Supports multi-threaded rendering and computation.
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Jmol extension is really useful --Pansanel 07:49, 11 April 2006 (UTC) Many molecular structures are difficult to handle in 2D sketch. A 3D visualization software is great for this job. For example, calixarene derivatives have a cone shape. Such molecule can really better understand with a 3D interactive tool.
Starting with version 2.7.5, a GPL is the only license valid for binary distributions. RasMol includes a scripting language, to perform many functions such as selecting certain protein chains, changing colors, etc. Jmol and Sirius software have incorporated this language into their commands.
High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes Yes No No No No Helix, loop, and side chain optimizing, fast energy minimizing Proprietary: PLOP wiki ...