schrodinger.analysis package

A package for analysis modules.

enrichment:

A module for calculating Enrichment Factors and reporting on the effectiveness of a ligand database screen seeded with known actives.

Subpackages

• schrodinger.analysis.enrichment package
  • Submodules
    • schrodinger.analysis.enrichment.calculator module
      • Enrichment Report
      • Enrichment Report
    • schrodinger.analysis.enrichment.enrichment_input module
    • schrodinger.analysis.enrichment.metrics module
    • schrodinger.analysis.enrichment.plotter module
• schrodinger.analysis.visanalysis package
  • Introduction
    • Handling Three-Dimensional Data
      • Array Coordinates
      • World Coordinates
    • Converting Between Coordinate-Frames
  • Code Examples
    • Format Conversion
      • Loading a .vis File for Access in Python
      • Conversion to CCP4 Format
      • Accessing Basic VolumeData Properties
      • Create a vdW-Mask Around a Molecule
      • Analysing a Conformational-Ensemble
      • Manipulating SiteMap Volumes
  • Submodules
    • schrodinger.analysis.visanalysis.vdaxis module
    • schrodinger.analysis.visanalysis.vdcoordinateframe module
    • schrodinger.analysis.visanalysis.vdexception module
    • schrodinger.analysis.visanalysis.volumedata module
    • schrodinger.analysis.visanalysis.volumedataio module
    • schrodinger.analysis.visanalysis.volumedatastructureutils module
    • schrodinger.analysis.visanalysis.volumedatautils module

Submodules

• schrodinger.analysis.cluster module
• schrodinger.analysis.reaction module
• schrodinger.analysis.substructure module
• schrodinger.analysis.transformations module