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  2. Comparison of software for molecular mechanics modeling

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

    Proprietary, commercial or gratis fold.it download page Archived 2011-04-04 at the Wayback Machine: FoldX: I Yes Yes No No No No No No Energy calculations, protein design Proprietary, commercial or gratis CRG: GROMACS: No No Yes Yes No [2] Yes I Yes [3] Yes High performance MD Free open source GNU GPL: gromacs.org: GROMOS: No No Yes Yes Yes Yes ...

  3. AutoDock - Wikipedia

    en.wikipedia.org/wiki/AutoDock

    AutoDock runs on Linux, Mac OS X, SGI IRIX, and Microsoft Windows. [11] It is available as a package in several Linux distributions, including Debian, [12] [13] Fedora, [14] and Arch Linux. [15] Compiling the application in native 64-bit mode on Microsoft Windows enables faster floating-point operation of the software. [16]

  4. MODELLER - Wikipedia

    en.wikipedia.org/wiki/MODELLER

    Modeller, often stylized as MODELLER, is a computer program used for homology modeling to produce models of protein tertiary structures and quaternary structures (rarer). [2] [3] It implements a method inspired by nuclear magnetic resonance spectroscopy of proteins (protein NMR), termed satisfaction of spatial restraints, by which a set of geometrical criteria are used to create a probability ...

  5. 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 ...

  6. List of software for nanostructures modeling - Wikipedia

    en.wikipedia.org/wiki/List_of_software_for...

    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 ...

  7. List of computer simulation software - Wikipedia

    en.wikipedia.org/wiki/List_of_computer...

    DX Studio - a suite of tools for simulation and visualization. Dymola - modeling and simulation software based on the Modelica language. DYNAMO - historically important language used for system dynamics modelling. Ecolego - a simulation software tool for creating dynamic models and performing deterministic and probabilistic simulations.

  8. List of molecular graphics systems - Wikipedia

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

    Free open-source, GPL C++, Qt, extensible via Python modules BALL: Molecular dynamics MM NMR: LGPL open-source: Standalone program [7] Cn3D: Free open-source: Standalone program [8] In the NCBI C++ toolkit Coot: XRD: Free open-source: Gabedit: XRD MM: Free open-source: C [9] Jmol: Free open-source: Java (applet or standalone program) Transpiled ...

  9. List of systems biology modeling software - Wikipedia

    en.wikipedia.org/wiki/List_of_systems_biology...

    The vast majority of modern systems biology modeling software support SBML, which is the de facto standard for exchanging models of biological cellular processes. Some tools also support CellML, a standard used for representing physiological processes. The advantage of using standard formats is that even though a particular software application ...

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