Tag: Molecular Modelling

Oscail 2021 – Crystallography & Molecular Modelling

Oscail 2021

:: DESCRIPTION

Oscail is a windows based software for Molecular Modelling and Crystallography. This Windows software provides an integrated high quality system for building and modelling molecules (Mopac and Iconc are included) and the system drives PC GAMESS and Tinker. The crystallographic software can solve, refine and examine small molecule crystal structures. The pictures produced range from high quality HPGL to photo realistic rendered 3D. Rendered movies are effective and easy to make using RASMOV. Software for Powder pattern simulation and the detection and display of voids is also available.

::DEVELOPER

Crystallography Centre ，National University of Ireland, Galway.

:: SCREENSHOTS

:: REQUIREMENTS

:: DOWNLOAD

Oscail

:: MORE INFORMATION

Ascalaph 1.8.94 – Molecular Modelling Suite

Ascalaph 1.8.94

:: DESCRIPTION

Ascalaph is a general purpose molecular modeling suite that performs quantum mechanics calculations for initial molecular model development, molecular mechanics and dynamics simulations in the gas or in condensed phase. It can interact with external molecular modeling packages (MDynaMix, NWChem, CP2K and PC GAMESS/Firefly).

::DEVELOPER

Agile Molecule 

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux/Windows
  • OpenGL

:: DOWNLOAD

 Ascalaph

:: MORE INFORMATION

Geno3D r2 – Protein Molecular Modelling

Geno3D r2

:: DESCRIPTION

Geno3D is an automatic web server for protein molecular modelling. Starting with a query protein sequence, the server performs the homology modelling in six successive steps.

::DEVELOPER

Geno3D team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Web Browser

:: DOWNLOAD

 NO

:: MORE INFORMATION

Citation

Geno3D: automatic comparative molecular modelling of protein.
Combet C, Jambon M, Deléage G, Geourjon C.
Bioinformatics. 2002 Jan;18(1):213-4.

MMTK 2.7.9 – The Molecular Modelling Toolkit

MMTK 2.7.9

:: DESCRIPTION

MMTK (The Molecular Modelling Toolkit) is an Open Source program library for molecular simulation applications. In addition to providing ready-to-use implementations of standard algorithms, MMTK serves as a code basis that can be easily extended and modified to deal with standard and non-standard problems in molecular simulations.

::DEVELOPER

Konrad Hinsen

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / Windows / Mac OsX
  • Python

:: DOWNLOAD

 MMTK

:: MORE INFORMATION

Citation:

K Hinsen (2000)
The Molecular Modeling Toolkit: A New Approach to Molecular Simulations
J. Comp. Chem. 21:79-85.

Zodiac 0.6.5 – Molecular Modelling suite for Drug Design

Zodiac 0.6.5

:: DESCRIPTION

Zodiac is a Molecular Modelling suite for drug design. Its features include support for haptic devices and nintendo wiimote fully undoable command list, MMFF94 implementation, POVRAY output.

::DEVELOPER

Nicola Zonta

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows / MacOsX /  Linux
  • OpenGL

:: DOWNLOAD

Zodiac

:: MORE INFORMATION

N/A