/** * Supplements the reduced structure with ligands from the full structure based on * a distance cutoff. Ligand groups are moved (destructively) from full to reduced * if they fall within the cutoff of any atom in the reduced structure. * The {@link StructureTools#DEFAULT_LIGAND_PROXIMITY_CUTOFF default cutoff} * is used. * @param full Structure containing all ligands * @param reduced Structure with a subset of the polymer groups from full * @see StructureTools#getLigandsByProximity(java.util.Collection, Atom[], double) */ protected static void copyLigandsByProximity(Structure full, Structure reduced) { // Normal case where all models should be copied from full to reduced assert full.nrModels() >= reduced.nrModels(); for(int model = 0; model< reduced.nrModels(); model++) { copyLigandsByProximity(full, reduced, StructureTools.DEFAULT_LIGAND_PROXIMITY_CUTOFF, model, model); } } /**
copyLigandsByProximity(s,newS, StructureTools.DEFAULT_LIGAND_PROXIMITY_CUTOFF, modelNr, modelNr);