Normal (geometry)In geometry, a normal is an object (e.g. a line, ray, or vector) that is perpendicular to a given object. For example, the normal line to a plane curve at a given point is the (infinite) line perpendicular to the tangent line to the curve at the point. A normal vector may have length one (in which case it is a unit normal vector) or its length may represent the curvature of the object (a ); its algebraic sign may indicate sides (interior or exterior).
Constraint programmingConstraint programming (CP) is a paradigm for solving combinatorial problems that draws on a wide range of techniques from artificial intelligence, computer science, and operations research. In constraint programming, users declaratively state the constraints on the feasible solutions for a set of decision variables. Constraints differ from the common primitives of imperative programming languages in that they do not specify a step or sequence of steps to execute, but rather the properties of a solution to be found.
MoleculeA molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and molecule is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.
Holonomic constraintsIn classical mechanics, holonomic constraints are relations between the position variables (and possibly time) that can be expressed in the following form: where are n generalized coordinates that describe the system (in unconstrained configuration space). For example, the motion of a particle constrained to lie on the surface of a sphere is subject to a holonomic constraint, but if the particle is able to fall off the sphere under the influence of gravity, the constraint becomes non-holonomic.
Constraint logic programmingConstraint logic programming is a form of constraint programming, in which logic programming is extended to include concepts from constraint satisfaction. A constraint logic program is a logic program that contains constraints in the body of clauses. An example of a clause including a constraint is . In this clause, is a constraint; A(X,Y), B(X), and C(Y) are literals as in regular logic programming. This clause states one condition under which the statement A(X,Y) holds: X+Y is greater than zero and both B(X) and C(Y) are true.
Molecular physicsMolecular physics is the study of the physical properties of molecules and molecular dynamics. The field overlaps significantly with physical chemistry, chemical physics, and quantum chemistry. It is often considered as a sub-field of atomic, molecular, and optical physics. Research groups studying molecular physics are typically designated as one of these other fields. Molecular physics addresses phenomena due to both molecular structure and individual atomic processes within molecules.
Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
Kinetic energyIn physics, the kinetic energy of an object is the form of energy that it possesses due to its motion. It is defined as the work needed to accelerate a body of a given mass from rest to its stated velocity. Having gained this energy during its acceleration, the body maintains this kinetic energy unless its speed changes. The same amount of work is done by the body when decelerating from its current speed to a state of rest.
Reading frameIn molecular biology, a reading frame is a way of dividing the sequence of nucleotides in a nucleic acid (DNA or RNA) molecule into a set of consecutive, non-overlapping triplets. Where these triplets equate to amino acids or stop signals during translation, they are called codons. A single strand of a nucleic acid molecule has a phosphoryl end, called the 5′-end, and a hydroxyl or 3′-end. These define the 5′→3′ direction. There are three reading frames that can be read in this 5′→3′ direction, each beginning from a different nucleotide in a triplet.
