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Graphics, model building, molecular mechanics, quantum chemistry. Avizo: EM ... cavity visualization, crystal symmetry ... almost 1/4 of all published images of 3D ...
Both Jmol and JSmol render an interactive 3D representation of a molecule or other structure that may be used as a teaching tool, [5] or for research, in several fields, e.g. chemistry, biochemistry, materials science, crystallography, [6] symmetry or nanotechnology.
VMD visualization of a 1-billion atom aerosolized SARS-CoV-2 virion, rendered with Tachyon on a workstation with 1TB RAM. Visual Molecular Dynamics (VMD) is a molecular modelling and visualization computer program. [2] VMD is developed mainly as a tool to view and analyze the results of molecular dynamics simulations.
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 ...
Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research.
Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, ...
QuteMol is an open-source, interactive, molecular visualization system. [1] QuteMol utilizes the current capabilities of modern GPUs through OpenGL shaders to offer an array of innovative visual effects. QuteMol visualization techniques are aimed at improving clarity and an easier understanding of the 3D shape and structure of large molecules ...
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.