Molecule_Maker needs additional fields to be complete

madscatt / zazmol

Library for defining molecular objects to create simulation and analysis programs To install: python setup.py install dependencies: numpy, mocker

GNU General Public License v3.0

0 stars 2 forks source link

Open madscatt opened 2 years ago

madscatt commented 2 years ago

 m.setOriginal_index(m.index())
 m.setOriginal_resid(m.resid())

 m.setResidue_flag([False]*m.natoms())
 m.setMoltype(["protein"]*m.natoms())

are needed.