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2. Avogadro (software) - Wikipedia

   en.wikipedia.org/wiki/Avogadro_(software)

   Space-filling model of loratadine created using Avogadro. 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 ...

3. Comparison of software for molecular mechanics modeling

   en.wikipedia.org/wiki/Comparison_of_software_for...

   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 ...

4. Molecule editor - Wikipedia

   en.wikipedia.org/wiki/Molecule_editor

   Amira (software) Visage Imaging Zuse Institute Berlin: Proprietary: Windows, macOS, Linux: Includes 3D visualization tools. Trial version available. Ascalaph Designer: Agile Molecule: GNU GPL: Windows, Linux: A freeware 3D molecule editor. 2009 Avogadro: Avogadro project team: GNU GPL: Windows, macOS, Linux: A 3D molecule editor and visualizer ...

5. List of quantum chemistry and solid-state physics software

   en.wikipedia.org/wiki/List_of_quantum_chemistry...

   List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...

6. List of open-source bioinformatics software - Wikipedia

   en.wikipedia.org/wiki/List_of_open-source...

   Windows: GPLv2: Agile Molecule AutoDock: 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

7. List of molecular graphics systems - Wikipedia

   en.wikipedia.org/wiki/List_of_molecular_graphics...

   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.

8. Comparison of force-field implementations - Wikipedia

   en.wikipedia.org/wiki/Comparison_of_force-field...

   Via chamber tool since v11 Yes No No No Ascalaph Designer: UA 94, 99SB, 03 No No No No No Avogadro: No No No Yes 94, 94s No Yes Balloon: No No No No 94 No No MMFF94-like BOSS: Yes No No No No No No CHARMM: Yes* Yes* Yes* Via CHARMM-GUI [2] Full MMFF94, but code rumored unmaintained No No * in standard distribution Gabedit: No Yes No Yes Yes No No

9. Molecular Operating Environment - Wikipedia

   en.wikipedia.org/wiki/Molecular_Operating...

   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.