GPathFinder
stable

User guide

  • How to install
  • Quick usage
  • Input files
  • Output files
  • Reproducibility
  • List of parameters
  • Refinement
  • How to cite this software

Tutorials

  • Your first GPathFinder calculation
  • Understanding the different sections of the input file
  • Preparing ligand and protein files
  • Analyzing GPathFinder results

For developers

  • Developers guide
  • API documentation
    • gaudi.cli
    • gaudi.genes
    • gaudi.objectives
    • gaudi.algorithms
    • gaudi.base
    • gaudi.box
    • gaudi.exceptions
    • gaudi.parallel
    • gaudi.parse
    • gaudi.plugin
    • gaudi.similarity
    • gaudi.path_similarity
    • gaudi._cpdrift
GPathFinder
  • Docs »
  • API documentation
  • Edit on GitHub

API documentation¶

  • gaudi.cli
    • gaudi.cli.gaudi_cli
    • gaudi.cli.gaudi_run
  • gaudi.genes
    • GaudiMM standard Molecule gene
    • GPathFinder Path gene
    • GPathFinder Path_torsion gene
    • GPathFinder Path_rotamers gene
    • GPathFinder Path_normalmodes gene
    • Base class for all genes
  • gaudi.objectives
    • Path scoring objective
    • Base class for all objectives

gaudi.algorithms¶

gaudi.base¶

gaudi.box¶

gaudi.exceptions¶

gaudi.parallel¶

gaudi.parse¶

gaudi.plugin¶

gaudi.similarity¶

gaudi.path_similarity¶

gaudi._cpdrift¶

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