NRGTEN
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Index

  • Introduction
  • How to cite NRGTEN
  • Installation Guide
  • Typical Uses
  • Advanced uses
    • Adding custom residues/ligands to ENCoM
    • Metrics for benchmarking NMA methods
      • Overlaps and cumulative overlap between normal modes and a conformational change
      • Principal components analysis (PCA) and RMSIP
    • Implementing custom elastic networks
  • Detailed code documentation
  • Troubleshooting
NRGTEN
  • Advanced uses
  • Metrics for benchmarking NMA methods
  • Edit on GitHub

Metrics for benchmarking NMA methods

The following metrics are readily implemented in NRGTEN:

  • Overlaps and cumulative overlap between normal modes and a conformational change
    • Overlaps
    • Cumulative overlap
  • Principal components analysis (PCA) and RMSIP
    • PCA
    • RMSIP
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© Copyright 2020, Olivier Mailhot, Rafael Najmanovich. Revision b7d33db8.

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