Skip to main content
Ctrl+K
Multi-receptor, multi-ligand, multi-engine molecular docking with reusable storage.
ProDock documentation ProDock documentation
  • Getting Started
  • Tutorial
  • Architecture
  • API
  • Reference
  • GitHub
  • Issues
  • Releases
  • PyPI
  • Getting Started
  • Tutorial
  • Architecture
  • API
  • Reference
  • GitHub
  • Issues
  • Releases
  • PyPI

Section Navigation

  • Full API
    • Core API
    • Structure API
    • Preprocess API
    • Dock API
    • Postprocess API
    • Database API
    • CLI
    • IO
  • API

API#

Quick access#

โš™๏ธ Core

Pipeline entry points

ProDockPipeline
prodock()

๐Ÿงฉ Modules

Stage-specific APIs

structure ยท preprocess
dock ยท postprocess ยท database

๐Ÿ“˜ Reference

Complete API page

Grouped automodule
documentation

Main entry points#

โš™๏ธ Core
  • prodock.core.ProDockPipeline

  • prodock.core.prodock()

๐Ÿงฌ Structure
  • prodock.structure.conversion

  • prodock.structure.pdb_query.PDBQuery

  • prodock.structure.pdb_engine.PDBEngine

  • prodock.structure.pdbqt_sanitizer.PDBQTSanitizer

๐Ÿงช Preprocess
  • prodock.preprocess.ligand.prep.LigandPrep

  • prodock.preprocess.receptor.prep.ReceptorPrep

  • prodock.preprocess.gridbox.gridbox.GridBox

๐Ÿš€ Dock
  • prodock.dock.single.SingleDock

  • prodock.dock.batch.BatchDock

๐Ÿ“Š Postprocess
  • prodock.postprocess.extract.core.Extractor

  • prodock.postprocess.pose.core.PoseCrawler

  • prodock.postprocess.interaction.core.InteractionProfiler

๐Ÿ—„๏ธ Database
  • prodock.database.pose_db.PoseDatabase

  • prodock.database.pose_query.PoseQuery

previous

Architecture

next

Full API

On this page
  • Quick access
  • Main entry points

Built with the PyData Sphinx Theme 0.17.1.