UMol.HbondDetection Class Reference

Static Public Member Functions
static UnityMolBonds	DetectHydrogenBonds (UnityMolSelection selec)
static UnityMolBonds	getCustomChemBonds (UnityMolSelection selec)
static UnityMolBonds	DetectHydrogenBonds_Avogadro (UnityMolSelection selec)
static UnityMolBonds	DetectHydrogenBonds_Shrodinger (UnityMolSelection selec)

Static Public Attributes
static float	neighboorDistance = 4.0f
static float	limitDistanceHA = 2.8f
static float	limitAngleDHA = 120.0f
static float	limitAngleHAB = 90.0f
static List< string >	listAcceptors = new List<string> {"O", "N"}
static Dictionary< string, int >	maxBonded = new Dictionary<string, int> { {"O", 2}, {"N", 3}}

Member Function Documentation

DetectHydrogenBonds()

static UnityMolBonds UMol.HbondDetection.DetectHydrogenBonds ( UnityMolSelection  selec )

static

DetectHydrogenBonds_Avogadro()

static UnityMolBonds UMol.HbondDetection.DetectHydrogenBonds_Avogadro ( UnityMolSelection  selec )

static

DetectHydrogenBonds_Shrodinger()

static UnityMolBonds UMol.HbondDetection.DetectHydrogenBonds_Shrodinger ( UnityMolSelection  selec )

static

getCustomChemBonds()

static UnityMolBonds UMol.HbondDetection.getCustomChemBonds ( UnityMolSelection  selec )

static

Member Data Documentation

limitAngleDHA

float UMol.HbondDetection.limitAngleDHA = 120.0f

static

limitAngleHAB

float UMol.HbondDetection.limitAngleHAB = 90.0f

static

limitDistanceHA

float UMol.HbondDetection.limitDistanceHA = 2.8f

static

listAcceptors

List<string> UMol.HbondDetection.listAcceptors = new List<string> {"O", "N"}

static

maxBonded

Dictionary<string, int> UMol.HbondDetection.maxBonded = new Dictionary<string, int> { {"O", 2}, {"N", 3}}

static

neighboorDistance

float UMol.HbondDetection.neighboorDistance = 4.0f

static

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

• C:/Users/Xavier/Dev/UnityMolX/Assets/Scripts/Hbonds/HbondDetection.cs