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Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, ... interactive tools, commands, ...
Graphics, model building, molecular mechanics, quantum chemistry. Avizo: EM MM MRI Optical SMI XRD: Proprietary [5] Windows, Linux, Mac [6] [self-published source?] Avizo is derived from Amira and focusing on materials science. Avogadro: MM XRD MD: Free open-source, GPL C++, Qt, extensible via Python modules BALL: Molecular dynamics MM NMR ...
Suite of automated docking tools Linux, Mac OS X, SGI IRIX, and Windows: GPL: Scripps Research: Avogadro: C++ based molecule editor and visualizer for in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. Linux, macOS, Unix, Windows: 3-Clause BSD License: Open Chemistry Project: BEDtools
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
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.
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They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs include both open source and commercial software. Most of them are large, often containing several separate programs, and have been developed over many years.
Average mortgage rates are edging down moderately week over week of Monday, January 6, 2024, though remain at elevated levels for benchmark 30-year and 15-year fixed terms, this despite three back ...