Small Molecule Conformer Generation

Getting started:

  • 1. Getting Started
  • 2. Installation

Theory:

  • 1. Basic idea
  • 2. Selecting Temperature Windows
  • 2. Analyzing Conformers

Launching SM_ConfGen simulations:

  • 1. Command-line interface (CLI)
  • 2. Input YAML parameters
Small Molecule Conformer Generation
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