Automatic generation of 3D structures and conformers of molecules in Marvin - Clean/3D

presentation · 14 years ago
by Ödön Farkas (ChemAxon)
MarvinSketch MarvinView Molconverter

Key topics:

  • The method in a nutshell
  • Using Clean/3D menu from the MSketch/MView GUI
  • Batch processing via MolConvert
  • Runtime parameters, special tricks
  • Examples

Additional resources

ChemAxon MarvinSketch and MarvinView implementation of Clean/3D: /marvin/doc/dev/index.html#examples