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

Map of most frequently conserved contacts during MD trajectory List of interresidue conserved contacts during MD trajectory Interresidue contacts conservation rate map for 200ns protein-protein MD trajectory

Project Activity

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