Search results
Results from the WOW.Com Content Network
Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, ... Comparison of software for molecular mechanics modeling;
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 ...
YAeHMOP has also been merged with the Avogadro open-source molecular editor and visualizer to enable calculations directly from the Avogadro graphical user interface for materials that are periodic in one, two, or three dimensions. [11]
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 ...
Computer program for general purpose molecular modelling for molecular design and simulations. ? GPLv2: Agile Molecule AutoDock: Suite of automated docking tools ? GPL? Avogadro: C++ based molecule editor and visualizer for in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. ? GPL? BEDtools
A molecular editor with visualization capabilities, designed to work with Q-Chem. 10 October 2024 VMD: University of Illinois: Free for non-commercial use: Cross-platform: 3D Molecular visualization tool that includes structure editing through the Molefacture plugin. 30 November 2016 HyperChem: Hypercube, Inc. Proprietary: Windows, Linux
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.
MOPAC is compatible with other software to provide graphical user interfaces (GUIs), visualization of outputs, and processing of inputs. The most well-known GUIs that support MOPAC are Chem3D, WebMO, [8] the Amsterdam Modeling Suite, [9] and the Molecular Operating Environment.