analyze_foldamers
latest

Getting started

  • Installation
  • Examples

Bonded distributions

  • Bond length distributions
  • Bond angle distributions
  • Torsion angle distributions
  • 2D histograms

Clustering

  • Clustering by particle coordinates RMSD
  • Clustering by torsion angles

Helical fitting

  • Helical parameter fitting

Visualization

  • Visualizing molecular snapshots
analyze_foldamers
  • »
  • Overview: module code

All modules for which code is available

  • analyze_foldamers.ensembles.cluster
  • analyze_foldamers.ensembles.cluster_torsion
  • analyze_foldamers.parameters.angle_distributions
  • analyze_foldamers.parameters.bond_distributions
  • analyze_foldamers.parameters.helical_fitting
  • analyze_foldamers.utilities.snapshot

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