• Getting Started
  • OEToolkits 2020.2
  • Toolkit API
  • Release Cycle
  • OEChem Toolkit
    • Introduction
    • OEChem Theory
    • OESystem Theory
    • OEBio Theory
    • OEGrid Theory
    • Examples
      • OEChem Examples
        • Molecule processing
        • Reactions
        • Molecule searching
        • Molecule alignment
        • SDF specific
        • Molecule information examples
        • 2D coordinate generation examples
        • Miscellaneous examples
      • OEBio Examples
      • Python Cookbook Examples
    • OEChem API
    • Preliminary OEChem API
    • OESystem API
    • Preliminary OESystem API
    • OEPlatform API
    • OEMath API
    • OEBio API
    • Preliminary OEBio API
    • Release Notes
    • Glossary and Bibliography
    • Indices and tables
  • OEDepict Toolkit
  • OEDocking Toolkit
  • Grapheme Toolkit
  • GraphSim Toolkit
  • Lexichem Toolkit
  • OEMedChem Toolkit
  • MolProp Toolkit
  • Omega Toolkit
  • Quacpac Toolkit
  • Shape Toolkit
  • Spicoli Toolkit
  • Szmap Toolkit
  • Szybki Toolkit
  • Zap Toolkit
Toolkits--csharp
  • Docs »
  • OEChem Toolkit 3.1.0.0 »
  • OEChem Examples »
  • Print simple molecule information

Print simple molecule information¶

A program that prints some simple molecule information for a database of molecules. This includes the title, molecular weight, number of atoms, number of heavy atoms, number of ring atoms, number of rotors and number of conformers.

Example¶

prompt> MolStats input.oeb.gz

Code¶

Download code

MolStats.cs

See also

  • OEIsHeavy functor
  • OEIsRotor functor
  • OECalculateMolecularWeight function
Next Previous

© Copyright 2020, OpenEye Scientific Software, Inc. Last updated on Dec 09, 2020.