OEResidueDatabaseCategoryΒΆ

This namespace contains the following constants used as parameters to OEResidueCategoryData methods and OEGetResidueDatabaseCategoryName. These constants refer to lists of residue names for various components found in a macromolecular complex. One of the key uses of these lists is to identify molecules that are not ligands, so that ligands may be recognized more easily.

AminoAcid

Standard amino acid and common variants such as hydroxy-proline.

Cofactor

Cofactors, such as heme or flavin adenine dinucleotide.

CofactorAndLigand

Compounds such as ATP that frequently act as a cofactor in some contexts and a ligand in another.

Ligand

Ligand. If the list associated with this category is populated, only ligands with one of the listed residue names will be recognized as such.

Max

Total number of categories.

Metal

Metals.

Misc

Otherwise unclassified compounds that are not to be considered ligands (such as buffers or excipients).

NucleicAcid

Nucleic acids.

Polymer

Polymer residues.

Saccharide

Sugars.