Using the Schrödinger Python API

This document can be accessed from the Schrödinger website at http://www.schrodinger.com/pythonapi, by opening your local $SCHRODINGER/docs/python_api/overview.html in a browser, or via the the Help ‣ Python Module Overview… menu in Maestro.

Contents

• Introduction
  • General Python Information
  • Getting Started
  • Accessing Your Own Modules
• Structures
  • Structure Class Organization
  • Structure I/O
  • Structure Operations
• Interacting with Maestro
  • Basic Concepts
  • Running Scripts from Maestro
  • Adding Your Script to the Maestro Scripts Menu
  • The Maestro Module
  • Interacting with the Project Table
  • Registering Functions to be Called By Maestro
  • Displaying a GUI Within Maestro Using Python
  • Other Maestro Interactions
• Product Specific Modules
  • Canvas
  • Desmond
  • Glide
  • Jaguar
  • MacroModel
  • MCPRO+
  • Prime
  • QSite
  • VSW
• Canvas 1.4 Python API
  • Introduction
  • Chemical Structure APIs
• Other Modules
  • Pipelined Workflows
  • Introduction to JobDJ
• Changelog
  • Suite 2014-3
  • Suite 2014-2
  • Suite 2014-1
  • Suite 2013-3
  • Suite 2013-2
  • Suite 2013-1
  • Suite 2012
  • Suite 2011
  • Suite 2010
  • Suite 2009
  • Suite 2008
  • Suite 2007

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