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MDcons (Molecular Dynamics contacts)

Protein, RNA, DNA & Ligand contacts analysis

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Description

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.

MDcons (Molecular Dynamics contacts) Web Site

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

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Additional Project Details

Intended Audience

Science/Research

User Interface

Command-line, Console/Terminal

Programming Language

Fortran, Python

Registered

2013-10-30
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