“partial_charge” selects atoms based on their assigned partial charges.
partial_charge > value
partial_charge < value
(partial_charge = value)
pc. > value
pc. < value
(pc. = value)
indicate partial_charge > 0.0 indicate pc. < -0.25 indicate (pc. = 0)
Due to parsing limitations, explicit parentheses must be used around expressions with equals signs “=” in order to distinguish them from assignment of a keyword parameter to a command.