User Guide#

The QuickMin plug-in provides quick minimization for smaller molecules, using OpenBabel. Probably reasonable for some few hundred atoms. Supports the following forcefields:

  1. GAFF

  2. MMFF94 & MMFF94s (which is optimized for minimization)

  3. Ghemical

  4. UFF

The default is the “best available” forcefield, which tries them in the order given above until it finds one that can handle the molecule.

The following sections cover accessing and controlling this functionality.

Index#