OEChem - Java Theory Manual

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7. OEMols and OEGraphMols

• 7.1 Preparation
• 7.2 Multi-conformer and single-conformer molecules
• 7.3 Conformers
• 7.4 Properties of Multi-Conformer Molecules
  • 7.4.1 GetConf and GetConfs
  • 7.4.2 Use of the conformer state
  • 7.4.3 Use of the conformers as first-class objects
• 7.5 Reading Multi-conformer molecules
• 7.6 Dude, where's my SD Data?

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				OEChem - Java Theory Manual

Previous: 6.3 Manipulation of Tagged Up: OEChem - Java Theory Next: 7.1 Preparation

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Documentation released on June 4, 2008.