- OEAssignZap7Radii function
This namespace contains the following constants:
Zap7 radii version in which carbonyl oxygens radii parameter is increased with respect to the Bondi radius, while all other oxygens have radii set at Bondi values.
Modified version of Zap7 radii in which in addition to carbonyl oxygens, all other doubly bonded oxygens have increased radii parameter with respect to the Bondi radii (see Table 2 in [Nicholls-2010]).
Same as the OEZap7Version.CarbonylOxygen constant.