Molecular Modelling Toolkit

MMTKOriginal author(s)| Konrad Hinsen

|

Initial release| 4 January 2000; 26 years ago (2000-01-04)
Stable release|

2.7.4 / 28 April 2011; 15 years ago (2011-04-28)

Written in| Python, C
Operating system| Cross-platform
Type| Bioinformatics
Website| dirac.cnrs-orleans.fr/MMTK/

The Molecular Modelling Toolkit (MMTK) is an open-source software package written in Python, which performs common tasks in molecular modelling.[1]

> {{{1}}}

As of 28 April 2011[update], MMTK consists of about 18,000 lines of Python code, 12,000 lines of hand-written C code, and some machine-generated C code.

## Contents

* 1 Features
* 2 See also
* 3 References
* 4 External links

## Features

* construction of molecular systems, with special support for proteins and nucleic acids
* infinite systems or periodic boundary conditions (orthorhombic elementary cells)
* common geometrical operations on coordinates
* rigid-body fits
* visualization using external PDB and VRML viewers; animation of dynamics trajectories and normal modes
* the AMBER 94 force field, with several options for handling electrostatic interactions
* a deformation force field for fast normal mode calculations on proteins
* energy minimization (steepest descent and conjugate gradient)
* molecular dynamics (with optional thermostat, barostat, and distance constraints)
* normal mode analysis
* trajectory operations
* point charge fits
* molecular surface calculations
* interfaces to other programs

## See also

* Software for molecular mechanics modelling

## References

1. ↑ Hinsen K (2000). "The Molecular Modeling Toolkit: A New Approach to Molecular Simulations". J. Comput. Chem. 21 (2): 79–85. doi:10.1002/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B.

## External links

* Official website
* Background information

0.00

(0 votes)

Original source: https://en.wikipedia.org/wiki/Molecular Modelling Toolkit. Read more

|

Retrieved from "https://handwiki.org/wiki/index.php?title=Software:Molecular_Modelling_Toolkit&oldid=4136907"