OpenStructure
|
Namespaces | |
namespace | atom |
namespace | impl |
Data Structures | |
struct | AllAtomPotentialOpts |
interaction statistics options More... | |
class | AllAtomPotential |
class | AminoAcidSetIterator |
class | AminoAcidSet |
Amino acid bit set. More... | |
class | Histogram |
histogram specialization for multi classifier More... | |
class | Index< 1 > |
class | Index< 2 > |
class | Index< 3 > |
class | Index< 4 > |
class | Index< 5 > |
class | Index< 6 > |
class | Index< 7 > |
class | IndexIterator |
class | InteractionStatistics |
class | ClassifierBase |
Base class for classifiers. More... | |
class | IntegralClassifier |
Classifier for integral classes. More... | |
class | ContinuousClassifier |
Classifier for real valued classes. More... | |
struct | Classifier< int > |
struct | Classifier< Real > |
struct | Classifier< impl::NullType > |
struct | NullFind |
struct | IndexFind< C, impl::NullType, I > |
struct | IndexFind |
struct | NumberOfClasses< impl::NullType > |
struct | NumberOfClasses |
class | MultiClassifier |
generic n-dimensional classifier More... | |
struct | PackingPotentialOpts |
class | PackingPotential |
packing (solvent accessibility) potential More... | |
class | PackingStatistics |
class | ReducedPotential |
reduced model statistical potential operating on the residue level More... | |
struct | ReducedStatOptions |
aggregates the option for the reduced model statistics More... | |
class | ReducedStatistics |
struct | TorsionPotentialOptsSolis |
torsion potential options More... | |
class | TorsionPotentialSolis |
Torsion potential. More... | |
class | TorsionStatisticsSolis |
sequence dependent torsion statistics More... | |
struct | TorsionPotentialOpts |
torsion potential options More... | |
class | TorsionPotential |
Torsion potential. More... | |
class | TorsionStatistics |
sequence dependent torsion statistics More... |
Enumerations | |
enum | AminoAcid { Ala, Arg, Asn, Asp, Gln, Glu, Lys, Ser, Cys, Met, Trp, Tyr, Thr, Val, Ile, Leu, Gly, Pro, His, Phe, Xxx } |
Functions | |
DLLEXPORT_OST_QA AminoAcid | ResidueToAminoAcid (const mol::ResidueHandle &r) |
DLLEXPORT_OST_QA String | AminoAcidToResidueName (AminoAcid aa) |
DLLEXPORT_OST_QA String | OneLetterCodeToResidueName (char olc) |
DLLEXPORT_OST_QA AminoAcid | OneLetterCodeToAminoAcid (char olc) |
char DLLEXPORT_OST_QA | ResidueNameToOneLetterCode (String rn) |
DLLEXPORT_OST_QA std::ostream & | operator<< (std::ostream &os, const AminoAcidSet &aa_set) |
DLLEXPORT_OST_QA atom::ChemType | GetAtomTypeByName (AminoAcid amino_acid, const String &aname) |
Real DLLEXPORT_OST_QA | ClashScore (const mol::EntityView &ent_a, const mol::EntityView &ent_b) |
Real DLLEXPORT_OST_QA | ClashScore (const mol::EntityHandle &ent_a, const mol::EntityView &ent_b) |
Real DLLEXPORT_OST_QA | ClashScore (const mol::AtomHandle &atom, const mol::EntityView &ent_b) |
Real DLLEXPORT_OST_QA | StericEnergy (const geom::Vec3 &pos1, Real r1, const geom::Vec3 &pos2, Real r2) |
typedef boost::shared_ptr<AllAtomPotential> AllAtomPotentialPtr |
Definition at line 32 of file all_atom_potential.hh.
typedef std::vector< AminoAcidSet > AminoAcidAlphabet |
Definition at line 33 of file solis_torsion_potential.hh.
typedef Histogram<int, int, Real> InteractionHistogram |
histogram for interaction histogram
the meaning of the dimensions is: type of first interaction partner, type of second interaction partner, distance between the two paterns.
Definition at line 39 of file interaction_statistics.hh.
typedef boost::shared_ptr<InteractionStatistics> InteractionStatisticsPtr |
Definition at line 40 of file interaction_statistics.hh.
typedef Histogram<int, int> PackingHistogram |
two dimensional histogram the meaning of the histogram axes is: amino acid type, number of atoms inside of cutoff radius.
Definition at line 32 of file packing_statistics.hh.
typedef boost::shared_ptr<PackingPotential> PackingPotentialPtr |
Definition at line 57 of file packing_potential.hh.
typedef boost::shared_ptr<PackingStatistics> PackingStatisticsPtr |
Definition at line 33 of file packing_statistics.hh.
typedef MultiClassifier<float, int, int, float, float> ReducedEnergies |
Definition at line 32 of file reduced_potential.hh.
typedef Histogram<int, int, float, float> ReducedHistogram |
Definition at line 71 of file reduced_statistics.hh.
typedef boost::shared_ptr<ReducedPotential> ReducedPotentialPtr |
Definition at line 28 of file reduced_potential.hh.
typedef boost::shared_ptr<ReducedStatistics> ReducedStatisticsPtr |
Definition at line 65 of file reduced_statistics.hh.
typedef boost::shared_ptr<TorsionPotential> TorsionPotentialPtr |
Definition at line 65 of file torsion_potential.hh.
typedef boost::shared_ptr<TorsionPotentialSolis> TorsionPotentialSolisPtr |
Definition at line 61 of file solis_torsion_potential.hh.
typedef boost::shared_ptr<TorsionStatistics> TorsionStatisticsPtr |
Definition at line 31 of file torsion_statistics.hh.
typedef boost::shared_ptr<TorsionStatisticsSolis> TorsionStatisticsSolisPtr |
Definition at line 41 of file solis_torsion_statistics.hh.
enum AminoAcid |
Definition at line 34 of file amino_acids.hh.
DLLEXPORT_OST_QA String ost::qa::AminoAcidToResidueName | ( | AminoAcid | aa | ) |
DLLEXPORT_OST_QA atom::ChemType ost::qa::GetAtomTypeByName | ( | AminoAcid | amino_acid, |
const String & | aname | ||
) |
DLLEXPORT_OST_QA AminoAcid ost::qa::OneLetterCodeToAminoAcid | ( | char | olc | ) |
DLLEXPORT_OST_QA String ost::qa::OneLetterCodeToResidueName | ( | char | olc | ) |
DLLEXPORT_OST_QA std::ostream& ost::qa::operator<< | ( | std::ostream & | os, |
const AminoAcidSet & | aa_set | ||
) |
char DLLEXPORT_OST_QA ost::qa::ResidueNameToOneLetterCode | ( | String | rn | ) |
DLLEXPORT_OST_QA AminoAcid ost::qa::ResidueToAminoAcid | ( | const mol::ResidueHandle & | r | ) |
from residue name to amino acid.
for non standard amino acids Xxx is returned.