UnityMol  1.0.25beta
Classes | Static Public Member Functions | List of all members
UMol.DSSP Class Reference

Classes

struct  HbondKS
 

Static Public Member Functions

static void assignSS_DSSP (UnityMolStructure s)
 
static bool isProline (UnityMolResidue r)
 
static bool containsCA_N_C_O (UnityMolResidue r)
 
static List< bool > checkResToSkip (List< UnityMolResidue > residues)
 
static Dictionary< UnityMolResidue, Vector3 > ksAssignHydrogens (List< bool > toSkip, List< UnityMolResidue > residues)
 
static void kabschSander (UnityMolStructure s)
 
static float ksDonorAcceptor (Dictionary< UnityMolResidue, Vector3 > hatoms, List< UnityMolResidue > residues, int idDon, int idAcc)
 Compute the Kabsch-Sander hydrogen bond energy between two residues More...
 
static void storeEnergies (Dictionary< UnityMolResidue, HbondKS > hbonds, UnityMolResidue r1, UnityMolResidue r2, float e)
 Store a computed hbond energy More...
 
static void computeBetaSheets (List< UnityMolResidue > allRes, List< int > idChains, List< bool > toSkip, Dictionary< UnityMolResidue, HbondKS > hbonds, List< DSSP_Bridge.SSType > secondary)
 
static void computeAlphaHelices (List< UnityMolResidue > allRes, List< int > idChains, List< bool > toSkip, Dictionary< UnityMolResidue, HbondKS > hbonds, List< DSSP_Bridge.SSType > secondary)
 

Member Function Documentation

◆ assignSS_DSSP()

static void UMol.DSSP.assignSS_DSSP ( UnityMolStructure  s)
static

◆ checkResToSkip()

static List<bool> UMol.DSSP.checkResToSkip ( List< UnityMolResidue >  residues)
static

◆ computeAlphaHelices()

static void UMol.DSSP.computeAlphaHelices ( List< UnityMolResidue >  allRes,
List< int >  idChains,
List< bool >  toSkip,
Dictionary< UnityMolResidue, HbondKS >  hbonds,
List< DSSP_Bridge.SSType >  secondary 
)
static

◆ computeBetaSheets()

static void UMol.DSSP.computeBetaSheets ( List< UnityMolResidue >  allRes,
List< int >  idChains,
List< bool >  toSkip,
Dictionary< UnityMolResidue, HbondKS >  hbonds,
List< DSSP_Bridge.SSType >  secondary 
)
static

◆ containsCA_N_C_O()

static bool UMol.DSSP.containsCA_N_C_O ( UnityMolResidue  r)
static

◆ isProline()

static bool UMol.DSSP.isProline ( UnityMolResidue  r)
static

◆ kabschSander()

static void UMol.DSSP.kabschSander ( UnityMolStructure  s)
static

◆ ksAssignHydrogens()

static Dictionary<UnityMolResidue, Vector3> UMol.DSSP.ksAssignHydrogens ( List< bool >  toSkip,
List< UnityMolResidue >  residues 
)
static

◆ ksDonorAcceptor()

static float UMol.DSSP.ksDonorAcceptor ( Dictionary< UnityMolResidue, Vector3 >  hatoms,
List< UnityMolResidue >  residues,
int  idDon,
int  idAcc 
)
static

Compute the Kabsch-Sander hydrogen bond energy between two residues

◆ storeEnergies()

static void UMol.DSSP.storeEnergies ( Dictionary< UnityMolResidue, HbondKS >  hbonds,
UnityMolResidue  r1,
UnityMolResidue  r2,
float  e 
)
static

Store a computed hbond energy

The documentation for this class was generated from the following file: