OEChem - Python Theory Manual

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6. OEMols and OEGraphMols

• 6.1 Preparation
• 6.2 Multi-conformer and single-conformer molecules
• 6.3 Conformers
• 6.4 Properties of Multi-Conformer Molecules
  • 6.4.1 GetConf and GetConfs
  • 6.4.2 Use of the conformer state
  • 6.4.3 Use of the conformers as first-class objects
• 6.5 Reading Multi-conformer molecules
• 6.6 Dude, where's my SD Data?

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				OEChem - Python Theory Manual

Previous: 5.4 Manipulation of Tagged Up: OEChem - Python Theory Next: 6.1 Preparation

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Documentation released on June 4, 2008.