“formal_charge” selects atoms based on their assigned formal charges.

formal_charge > value
formal_charge < value
(formal_charge = value)

fc. > value
fc. < value
(fc. = value)

indicate formal_charge > 0
indicate fc. < 0
indicate (fc. = 1)

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.

partial_charge

Selections