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selection:partial_charge

partial_charge

“partial_charge” selects atoms based on their assigned partial charges.

Usage

partial_charge > value
partial_charge < value
(partial_charge = value)

pc. > value
pc. < value
(pc. = value)

Examples

indicate partial_charge > 0.0
indicate pc. < -0.25
indicate (pc. = 0)

Notes

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.

See Also

Plus

selection/partial_charge.txt · Last modified: 2013/08/19 21:01 (external edit)