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Next: Analysis of Conformational Energy Up: XPLOR Interface Manual Previous: Example: Interchain Interaction Energy
Geometric and Energetic Analysis
Subsections
- Analysis of Conformational Energy Terms
- Syntax of the Print Statement
- Syntax of the Pick Statement
- Requirements
- Example: Print Bond Length and Bond Angle Deviations
- Example: Print All Bonds of a Selected Set of Atoms
- Example: Pick Bond Geometry
- Example: Pick Distance between Two Atoms
- Example: Pick Bond Angle among Three Atoms
- Analysis of the Nonbonded Energy Terms
- Deviations from Ideality and Crystal Packing
- Conformation vs. Residue Number
- Ramachandran Plot
- Accessible Surface Area
Xplor-NIH 2024-09-13