Molecula Geometry Functions
Molecula comes with a panel of functions dedicated to cartesian measures of molecuar 3-dimensional macromolecules structures. Some functions such as
MDistance,
MAngle,
MDihedral, computes measures uppon atom sets, others are more specific to biopolymers such as
MBackboneAngles.
Low Level Atomic Functions
MToVector — the vector defined by two atoms, or the vectors defined by a list of pairs of atoms
MToNormedVector — the normed vector defined by two atoms, or the normed vectors defined by a list of pairs of atoms
MDistance — the distance between two atoms
MAngle — the angle formed by three atoms
MDihedral — the dihedral angle (torsion angle) formed by four atoms
MGeometricCenter — the geometric center of a list of atoms or of all atoms of an
hexpr
MBackboneAngles — the list of the torsion angle of the polymeric chain backbone
MSuperimposition — superimpose two molecular expressions
