public class CeSymmIterative extends ObjectIterative version of CeSymm that aims at identifying all symmetry axis of a structure.
Works in the following way:
- Run CeSymm on the original structure.
- Calculate the symmetric unit boundaries.
- Run CeSymm on one of the symmetric units to find further symmetries.
- Repeat the last two steps until no more significant results are found.
- Map back all residues in a multiple alignment of the repeats.
- Aleix Lafita
All Methods Instance Methods Concrete Methods Modifier and Type Method Description
execute(Atom atoms)This method uses iteratively CeSymm to calculate all symmetries in the input array of atoms and organize them in a multiple alignment of the repeats.
public CeSymmIterative(CESymmParameters param)For the iterative algorithm to work properly the refinement and optimization options should be turned on, because the alignment has to be consistent at every recursive step.
param- CeSymm parameters, make sure they are cloned
public CeSymmResult execute(Atom atoms) throws StructureException