Instead of the GAMESS-FMO writer being hardcoded inside the gamessfmo.py file it should be template based like the PyMol templates. This will allow for some easier configuration and different templates for different purposes. One could envision one template for FMO with HOP and another for FMO with AFO so that those two are set up differently.
Instead of the GAMESS-FMO writer being hardcoded inside the gamessfmo.py file it should be template based like the PyMol templates. This will allow for some easier configuration and different templates for different purposes. One could envision one template for FMO with HOP and another for FMO with AFO so that those two are set up differently.