OMEGA C++ Toolkit
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2.3 Fragment Library Generation
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OMEGA C++ Toolkit
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3. Using Omega
2 Applications
Subsections
3. Using Omega
3.1 Command Line Interface
3.1.1 Required Parameters
3.1.2 Molecular File Formats
3.1.3 Optional Input/Output Parameters
3.1.4 3D Construction Parameters
3.1.5 Structure Enumeration
3.1.6 Torsion Driving Parameters
3.2 Force Fields
3.3 Torsion Library Format
3.4 Example Executions
4. Creating A Fragment Library
4.1 Theory
4.2 Usage
4.2.1 Command-Line Interface
4.2.2 Parameters
4.2.3 Example executions
5. Flipper
5.1 Theory
5.1.1 Input dimensionality
5.2 Usage
5.2.1 Command Line Interface
5.2.2 Parameters
5.2.3 Example executions
6. Installation and Platform Notes
6.1 Licenses
6.2 Installation
6.2.1 Linux/Unix
6.2.2 Windows
6.2.3 OS X
6.3 PVM
6.4 PVM hosts file
6.5 PVM Scaling
OMEGA C++ Toolkit
Previous:
2.3 Fragment Library Generation
Up:
OMEGA C++ Toolkit
Next:
3. Using Omega
Documentation released on September 10, 2008.
