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

presentation · 16 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