measure

Python operations available from the measure module, used to measure specific geometric quantities over time.

• bond(atom1, atom2, molid1=top, molid2=molid1, frame=now, first=now, last=now): Returns a list of the distances between atom1 and atom2 for all frames from first to last, or alternatively at a specific frame.

• angle(atom1, atom2, atom3, molid1=top, molid2=molid1, molid3=molid1, frame=now, first=now, last=now): Returns a list of the angle formed between atoms 1-2-3 for all frames from first to last, or alternatively at a specific frame.

• dihedral(atom1, atom2, atom3, atom4, molid1=top, molid2=molid1, molid3=molid1, molid4=molid1, frame=now, first=now, last=now): Returns a list of the dihedral formed between atoms 1-2-3-4 for all frames from first to last, or alternatively at a specific frame.