The angle between the three specified atoms with atom-name2 as apex is calculated.
The three atoms are not necessarily bonded atoms, but should be present in the
current atom list. This list can be inspected with a LIST ATOMS instruction. An
individual angle may be calculated as an aid in the analysis of the geometry of the
structure. Exhaustive geometry listings may be obtained with the companion program
PLATON. (See also the GEOM instruction)
Example: ANGLE C(2) O2 N(2)
DIST
The distance between the specified and not necessarily bonded atoms is calculated.
Both atoms should be in the current atom list (to be checked with a LIST ATOMS
instruction) or explicitly generated using the optional aru designator.
Example: DIST C1 C3 DIST C1 C3 2555.01
GEOM
Interactive calculation of geometry around atom, i.e bond distances and bond angles.
TORSION
The dihedral angle (not necessarily involving bonded atoms) for the specified atoms
is calculated as an aid to analyze the geometry of the structure (exhaustive geometry
listings may be obtained with the companion program PLATON).
Example: TORSION C(2) O2 N(2) C(4)