Molecular Modeling Software

  • The Molecular Modeling Templates, MMT is a C++ class library for molecular simulation applications. MMT serves as a code basis that can be easily extended and modified to perform Monte Carlo and molecular dynamics simulations.

    • Freeware (Free)
    • Windows
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  • Facio is an OpenGL-based 3D-graphics program for molecular modeling and visualization of quantum chemical calculations (GAMESS and Gaussian). SSH / SFTP client is also implemented. Through SSH / SFTP connection, Gaussian job can be submitted to. ...

    • Freeware (Free)
    • 15.7 Mb
    • WinXP, Windows Vista, Windows 7
  • Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas.

    • Avogadro-1.0.3-win32.exe
    • dcurtis3
    • Freeware (Free)
    • 9.51 Mb
    • Win All
  • BALLView is our standalone molecular modeling and visualization application. Furthermore it is also a framework for developing molecular visualization functionality. It is available free of charge under the GPL for Linux, Windows and MacOS. It. ...

    • Freeware (Free)
    • 38 Mb
    • WinXP, Windows Vista, Windows 7, Windows 7 x64
  • BALLView is our standalone molecular modeling and visualization application. Furthermore it is also a framework for developing molecular visualization functionality. It is available free of charge under the GPL for Linux, Windows and MacOS.

    • Shareware ($)
    • 37.99 Mb
    • WinXP, Win2000, Win Vista, Windows 7, Windows 8
  • A new molecular modeling package, offering unique and efficient tools for modeling polymeric properties of ordered and disordered proteins and other macromolecules. Includes the ABSINTH force field and implicit solvent. ...

    • campari_v1.0.1_02072011.zip
    • campari
    • Freeware (Free)
    • 12.01 Mb
    • N/A
  • The Biomolecule Toolkit is a library for modeling biological macromolecules such as proteins, DNA and RNA. It provides a C++ interface for common tasks in structural biology to facilitate the development of molecular modeling, design and analysis. ...

    • Biomolecule Toolkit
    • btk
    • Freeware (Free)
    • 443 Kb
    • Mac; Linux
  • A Java based molecular modeling program. Has support for generating movies by interpolating between given positions, interactive display and manipulation of atoms and bonds, and dynamic modeling of substance. ...

    • Freeware (Free)
    • 1.4 Mb
    • Windows; Mac; Linux
  • Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, biochemistry, or related. ...

    • openbabel-2.3.1.tar.gz
    • openbabel
    • Freeware (Free)
    • 19.21 Mb
    • Windows; BSD; Mac; Linux
  • Pteros is the C++ library for custom molecular modeling and simulations codes designed for researchers, not for C++ gurus. Provides facilities for PDB, XTC and TRR files IO, powerful selections, geometry transformations, RMSD fitting and alignment,. ...

    • pteros_0.8.zip
    • pteros
    • Freeware (Free)
    • 1.02 Mb
    • N/A
  • The Molecular Object Library, MOL is a c#-based object-oriented component for chemoinformatics and molecular modeling..

    • Freeware (Free)
    • Windows
  • almost - all atom molecular simulation toolkit - is a fast and flexible molecular modeling environment that provides powerful and efficient algorithms for molecular simulation, homology modeling, de novo design and ab-initio calculations.

    • Freeware (Free)
    • Windows

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