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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
License
GNU General Public License version 2.0 (GPLv2)Follow MDcons(Molecular Dynamics consensus)
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