Patching the Molecular Structure

The patch statement refers to a patch residue (PRESidue), which consists of additions of atoms by the add statement, modifications by the modify statement, or deletions by the delete statement. The order of modified and added atoms within a residue is constrained by group statements in the original RESIdue statement, in addition to those in the patch residue. A patch can establish chain linkages, such as peptide bonds, chain termini, disulfide bridges, and covalent links to ligands.


Xplor-NIH 2023-11-10