Some of properties in parmed.Structure.copy() is actually copied by reference (atom.atom_type specifically. This becomes an issue when the copied structure (e.g., apply nbfix) was modified also accidentally altered the original structure, which may lead to other unexpected behavior.
Some of properties in
parmed.Structure.copy()is actually copied by reference (atom.atom_typespecifically. This becomes an issue when the copied structure (e.g., apply nbfix) was modified also accidentally altered the original structure, which may lead to other unexpected behavior.