OMEGA C++ Toolkit

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4. Creating A Fragment Library

makefraglib identifies, extracts, and generates conformers of molecular fragments. The model builder in Omega fragments input molecules, retrieves corresponding fragment conformers, and assembles them into a three dimensional structure. Pregenerating fragment conformers using makefraglib accelerates the model building procedure.

• 4.1 Theory
• 4.2 Usage
  • 4.2.1 Command-Line Interface
  • 4.2.2 Parameters
  • 4.2.3 Example executions

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				OMEGA C++ Toolkit

Previous: 3.4 Example Executions Up: 2 Applications Next: 4.1 Theory

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Documentation released on September 10, 2008.