Editing MotiveValidator:Principles (section)

=Validation procedure=
Within the '''MotiveValidator''' environment, the term ''validation'' refers to the process of determining whether a molecule is structurally complete and correctly annotated. This means checking if the topology and chirality of each validated molecule correspond to those of the model with the same annotation (3-letter code) as the validated molecule.

'''MotiveValidator''' implements the ''validation of annotation'' approach, which consists of several steps. First, for each molecule under investigation, the ''input motif'' is extracted from the input. At the same time, the appropriate ''model'' is retrieved from wwPDB CCD. Then, the ''validated molecule'' (or ''validated motif'') is identified as the subset of atoms common in the ''model'' and the ''input motif''. Subsequently, the ''validated molecule'' is compared against the ''model'', atom by atom. All the validation analyses in '''MotiveValidator''' are based on this comparison of atom properties (presence, chirality, element symbol, PDB name, etc.). Other unusual aspects encountered during validation are reported as processing warnings (e.g., which conformer was validated if several conformers were present).