abakan/ProDy — Issue #96: Bond orders
Author: abakan
Created: 2012-03-06 01:14:21+00:00
State: open
Labels: Feature request

Extend AtomGroup to store bond orders. `setBonds` and `addBonds` (to be implemented) should accept list of indices with bond orders (bonds.shape one of (n_bonds, 2) or (n_bonds, 3) with bond order). Also, implement `Bond.getOder` method to be complete.