 Align | Pairwise sequence and profile alignment |
  FSAlign | Implement free-shift "glocal" alignment |
  NWAlign | Implement Needleman-Wunsch global alignment |
  NWAlignNoTermGaps | Implement Needleman-Wunsch global alignment with no penalty for the terminal hangouts of the sequence |
  SWAlign | Implement Smith-Waterman local alignment |
 AlignmentBase | Abstract base class for all sorts of alignments |
  Alignment | Implement a simple alignment type |
 AlignmentData | Base class for printing alignments |
  SecSequenceData | Print alignment of two sequences considering also secondary structure |
  SequenceData | Print alignment of two sequences |
 AminoAcidHydrogen | Implements aminoacid hydrogens |
 CompressedLoopTableEntry | This structure allows to manage a compressed loop table information in vectors |
 EData | Class for structural alignments |
 EnergyFeatures | Interface/wrapper for energy and feature calculation for a protein chain |
 EnergyGreater | Energy operator. It compares enrgies of two Potential::ANGLES structures |
 EnergyVisitor | Base class implementing the visitor pattern |
 GapFunction | Base class for gap functions |
  AGPFunction | Implement AGP (Affine Gap Penalty) function |
  VGPFunction | Implement VGP (Variable Gap Penalty) function |
  VGPFunction2 | Implement VGP (Variable Gap Penalty) function |
 globalStatistic | Methods to manages the global statistic data |
 Identity | Implements object id. With a "number" a "name" and a "counter" |
 IntCoordConverter | Implements methods to manage translation vector and angles between vectors |
 Loader | Base class for loading components (Atoms, Groups, etc.) |
  IntLoader | Loads components (Atoms, Groups, etc.) in internal format |
  PdbLoader | Loads components (Atoms, Groups, Spacer, etc.) in standard PDB format |
  RelLoader | Loads components (Atoms, Groups, etc.) in relative format |
  SeqLoader | Loads components (Atoms, Groups, etc.) in SEQ format |
  XyzLoader | Loads components (Atoms, Groups, etc.) in XYZ (carthesian) format |
 LoopExtractor | Extracts all the loop regions (by numbers) from a given spacer |
 LoopTable | Defines a table of possible amino chain end points and end directions after k amino acids have been concatenated |
 LoopTableEntry | Implements an entry for the loop table (equivalent to the old "ProteinTableEntry" from the previous version |
 OptimizationVisitor | Base class Optimizacion Patter |
 Potential | Abstract class for the energy potential |
  EffectiveSolvationPotential | Implements a knowledge-based solvation with polar/hydrophobic information potential. A coefficient is used to normalize the propensity |
  PolarSolvationPotential | This class implements a knowledge-based solvation with polar/hydrophobic information potential |
  RapdfPotential | Distance-dependent residue-specific all-atom probability discriminatory function |
  SolvationPotential | Includes methods that allow to calculate solvation, energy and propensity |
  TorsionPotential | This class implements a simple torsion potential based on the statistical preference of aminoacid types for certain angles |
   Chi1Chi2 | Class manages the angle qualities and the energy |
   Omega | Class manages the angle qualities and the energy |
   PhiPsi | Class manages the angle qualities and the energy |
   PhiPsiOmega | Class manages the angle qualities and the energy |
   PhiPsiOmegaChi1 | Class manages the angle qualities and the energy |
   PhiPsiOmegaChi1Chi2 | Class manages the angle qualities and the energy |
   PhiPsiOmegaChi1Chi2PreAngle | Class manages the angle qualities and the energy |
   PhiPsiOmegaChi1PreAngle | Class manages the angle qualities and the energy, tortion potential |
   PhiPsiOmegaPreAngle | Class manages the angle qualities and the energy |
   PhiPsiPreAngle | Class manages the angle qualities and the energy, torsion potential |
 Profile | Calculate a frequency profile or PSSM |
  HenikoffProfile | Calculate a frequency profile or PSSM using Henikoff weighting scheme |
  PSICProfile | Calculate a frequency profile or PSSM using PSIC weighting scheme |
  SeqDivergenceProfile | Calculate a frequency profile or PSSM using SeqDivergence weighting scheme |
 ProfInput | Implement I/O objects for handling PHD files |
 PssmInput | Implement I/O objects for handling BLAST PSSM (Position Specific Score Matrix) |
 RamachandranData | This struct implements the container for ramachandran plot-like phi/psi angle combinations for the LoopTable class(es) |
 RankAnalyzer | This class implements functions to analyze the ranking output of lobo |
 ranking_helper | Contains methods to manage the ranking |
 ranking_helper2 | Class contains methods to manage the ranking |
 Saver | Base class for saving components (Atoms, Groups, etc.) |
  IntSaver | Loads components (Atoms, Groups, etc.) in internal format |
  PdbSaver | Saves components (Atoms, Groups, etc.) in standard PDB format |
  RelSaver | Save components (Atoms, Groups, etc.) in relative format |
  XyzSaver | Saves components (Atoms, Groups, etc.) in carthesian format |
 ScoringFunction | Base class for scoring functions |
  AtchleyCorrelation | Calculate scores for profile to profile alignment using sequence metric factor |
  AtchleyDistance | Calculate scores for profile to profile alignment using sequence metric factor |
  CrossProduct | Calculate scores for profile to profile alignment using sum of pairs method |
  DotPFreq | Calculate scores for profile to profile alignment using dot product method |
  DotPOdds | Calculate scores for profile to profile alignment using dot product method |
  EDistance | Calculate scores for profile to profile alignment using euclidean distance |
  JensenShannon | Calculate scores for profile to profile alignment using Jensen-Shannon method |
  LogAverage | Calculate scores for profile to profile alignment using sum of pairs method |
  Panchenko | Calculate scores for profile to profile alignment using Panchenko method |
  Pearson | Calculate scores for profile to profile alignment using Pearson's correlation coefficient |
  Zhou | Calculate scores for profile to profile alignment using Zhou-Zhou method |
 ScoringScheme | Base class for scoring schemes |
  ScoringP2P | Calculate scores for profile to profile alignment |
  ScoringP2S | Calculate scores for profile to sequence alignment |
  ScoringS2S | Calculate scores for sequence to sequence alignment |
 SeqConstructor | This class builds a spacer by concatenating the same aminoacid type for n times |
 SimpleBond | Defines chemical and abstract bonds between objects. eg.: covalent bonds. Attention: copy() strips orig from its SimpleBonds and attaches them to the new SimpleBond |
  Atom | Implements a simple atom type |
  Bond | Defines chemical and abstract bonds between objects which are compositions of atoms |
   Component | Base class for composite structures |
    Monomer | Base class for components without elements |
     Group | This class implements a simple chemical group |
      AminoAcid | It mplements a simple amino acid |
      Ligand | Implements methods to verify the ligand properties |
      Nucleotide | Implements a simple nucleotide |
      SideChain | This class implements a side chain |
    Polymer | Implements methods to manage a polymer created by components |
     LigandSet | Class implements methods to manage the ligandSet |
     Protein | Is a container of Polymers (a component of components). Each chain in a PDB (a Protein object) corresponds to a Polymers. Each Polymer corresponds to a Spacer and a LigandSet (if present) |
     Spacer | Implements a "Spacer" for a protein chain. Includes methods to obtain values from the atoms and its pdb information |
 solutionQueueElem | Struct that contains a queue element |
 Ss2Input | Implement I/O objects for handling PSI-PRED files |
 Structure | Base class for structural scores |
  Prof | Calculate structural scores with info derived from PHD |
  Sec | Calculate structural scores with info derived from secondary structure |
  Ss2 | Calculate structural scores with info derived from PSI-PRED |
  Threading | Calculate structural scores with info derived from threading |
  ThreadingProf | Calculate structural scores with info derived from threading and PHD |
  ThreadingSs2 | Calculate structural scores with info derived from threading and PSI-PRED |
 Substitution | Base class for deriving substitution matrices |
  SubMatrix | Implement a standard substitution matrix |
 ThreadingInput | Implement I/O objects for handling threading files |
 Traceback | Reconstruct the path in the alignment matrix |
 VectorTransformation | This class allows to store transformation steps for transforming a vector v into v' according to the series of steps performed earlier |