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The JME Molecule Editor is a molecule editor Java applet with which users make and edit drawings of molecules and reactions (including generating substructure queries), and can display molecules within an HTML page. [1] The editor can generate Daylight simplified molecular-input line-entry system (SMILES) or MDL Molfiles of the created structures.
Molecular building (DNA, proteins, hydrocarbons, nanotubes), molecular dynamics, GPU acceleration Mixed: free open source & commercial: Ascalaph Project: Avogadro: Yes Yes Yes No No No I No No Molecule building, editing (peptides, small molecules, crystals), conformational analysis, 2D/3D conversion; extensible interfaces to other tools
Three dimensional molecular model of an all-carbon tubular fullerene. This is a list of notable computer programs that are used to model nanostructures at the levels of classical mechanics [1] and quantum mechanics. Furiousatoms [2] - a powerful software for molecular modelling and visualization; Aionics.io [3] - a powerful platform for ...
Several of the CPK colors refer mnemonically to colors of the pure elements or notable compound. For example, hydrogen is a colorless gas, carbon as charcoal, graphite or coke is black, sulfur powder is yellow, chlorine is a greenish gas, bromine is a dark red liquid, iodine in ether is violet, amorphous phosphorus is red, rust is dark orange-red, etc.
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. [1] The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies.
In 1865, German chemist August Wilhelm von Hofmann was the first to make ball-and-stick molecular models. He used such models in lecture at the Royal Institution of Great Britain. Specialist companies manufacture kits and models to order. One of the earlier companies was Woosters at Bottisham, Cambridgeshire, UK. Besides tetrahedral, trigonal ...
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