SMACK Substructure Query Conversion Tools

Previous: 3.1 Command Line Interface Up: SMACK Substructure Query Conversion Next: 4.1 SMARTS Patterns

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4. File Formats

• 4.1 SMARTS Patterns
  • 4.1.1 Atom Primitives
  • 4.1.2 Bond Primitives
  • 4.1.3 Logical Operators
• 4.2 MDL Query Files
  • 4.2.1 The Header Block
  • 4.2.2 The Count Block
  • 4.2.3 The Atom Block
  • 4.2.4 The Bond Block

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				SMACK Substructure Query Conversion Tools

Previous: 3.1 Command Line Interface Up: SMACK Substructure Query Conversion Next: 4.1 SMARTS Patterns

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Documentation released on 16 February 2006.