peppr.standardize

peppr.standardize(system: AtomArray | AtomArrayStack) → AtomArray | AtomArrayStack

Standardize the given system.

This function

• removes hydrogen atoms

• removes solvent atoms and monoatomic ions

Parameters:

systemstruc.AtomArray or struc.AtomArrayStack

The system to standardize.

Returns:

struc.AtomArray or struc.AtomArrayStack

The standardize system.