MDcons is a tool to analyze conserved contacts during Molecular Dynamics (MD) simulations of Protein, Rna, Dna & Ligand based complexes. The input is either a Molecular Dynamics trajectory or a set of snapshots. The input can also be a single snapshot. The outputs are (1) map of most/less frequently conserved contacts during MD (2) a list of most/less frequently conserved contacts during MD.

Features

  • MDcons runs on 2000+ MD snapshots in less than 2 minutes
  • MDcons handles both Protein, RNA and DNA complexes
  • MDcons handles trajectories/snapshots with or without chain identifyer
  • MDcons is compatible with GROMACS

Project Samples

Project Activity

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License

GNU General Public License version 2.0 (GPLv2)

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MDcons(Molecular Dynamics consensus) Web Site

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Additional Project Details

Operating Systems

Linux, Mac

Intended Audience

Science/Research

User Interface

Command-line, Console/Terminal

Programming Language

Fortran, Python

Related Categories

Fortran Molecular Science Software, Fortran Bio-Informatics Software, Fortran Molecular Mechanics Software, Python Molecular Science Software, Python Bio-Informatics Software, Python Molecular Mechanics Software

Registered

2013-10-31