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UnityMol
0.9.6-875
UnityMol viewer / In developement
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Public Member Functions | |
MoleculeModel () | |
Static Public Member Functions | |
static Color | GetAtomColor (string atomType) |
Static Public Attributes | |
static string | sequence = "" |
static List< float[]> | atomsLocationlist = new List<float[]>() |
static List< Vector3 > | atomsIMDSimulationLocationlist |
static List< float[]> | CatomsLocationlist = new List<float[]>() |
static List< float[]> | backupCatomsLocationlist = new List<float[]>() |
static List< float[]> | CaSplineList = new List<float[]>() |
static List< AtomModel > | atomsTypelist = new List<AtomModel>() |
static List< string > | atomsNamelist = new List<string>() |
static List< int > | atomsNumberList = new List<int>() |
static List< string > | atomsSugarNamelist = new List<string>() |
static List< string > | atomsSugarResnamelist = new List<string>() |
static List< string > | sugarResname |
static List< float[]> | atomsSugarLocationlist = new List<float[]>() |
static List< string > | resSugarChainList = new List<string>() |
static List< int[]> | bondEPSugarList = new List<int[]>() |
static List< AtomModel > | atomsSugarTypelist = new List<AtomModel>() |
static List< int[]> | BondListFromPDB = new List<int[]>() |
static List< string > | atomHetTypeList = new List<string>() |
static List< string > | existingName = new List<string>() |
static List< string > | atomsResnamelist = new List<string>() |
static List< string > | existingRes = new List<string>() |
static List< int > | residueIds = new List<int>() |
static Dictionary< int, ArrayList > | residues = new Dictionary<int, ArrayList>() |
static List< string > | atomsChainList = new List<string>() |
static List< string > | resChainList = new List<string>() |
static List< string > | resChainList2 = new List<string>() |
static int | firstresnb = new int() |
static List< string > | existingChain = new List<string>() |
static List< Color > | atomsColorList = new List<Color>() |
static List< float > | atomsLocalScaleList = new List<float>() |
static List< int > | splits = new List<int>() |
static List< int[]> | bondList = new List<int[]>() |
static List< int[]> | bondEPList = new List<int[]>() |
static Dictionary< int, List< int > > | bondEPDict = new Dictionary<int, List<int>>() |
static List< int[]> | CSidList = new List<int[]>() |
static List< string[]> | CSSGDList = new List<string[]>() |
static List< float[]> | CSRadiusList = new List<float[]>() |
static List< string[]> | CSColorList = new List<string[]>() |
static List< string[]> | CSLabelList = new List<string[]>() |
static List< List< Vector3 > > | FieldLineList = null |
static List< int[]> | bondCAList =new List<int[]>() |
static List< AtomModel > | CaSplineTypeList = new List<AtomModel>() |
static List< string > | CaSplineChainList = new List<string>() |
static List< string > | backupCaSplineChainList = new List<string>() |
static List< float > | BFactorList = new List<float>() |
static Dictionary< int, int[]> | atomsForEllipsoidsPerResidue = new Dictionary<int, int[]>() |
static Dictionary< int, int > | atomsForEllipsoidsOrientationPerResidue = new Dictionary<int, int>() |
static List< int > | baseIdx = new List<int>() |
static List< float > | scale_RNA = new List<float>() |
static List< GameObject > | ellipsoids = new List<GameObject>() |
static Dictionary< int, GameObject > | ellipsoidsPerResidue = new Dictionary<int, GameObject>() |
static List< GameObject > | bondsForReplacedAtoms = new List<GameObject>() |
static List< Dictionary< string, Vector3 > > | residueDictionaries |
static List< Dictionary< string, Vector3 > > | residueDictionariesSugar |
static List< float[]> | ssHelixList = new List<float[]> () |
static List< float[]> | ssStrandList = new List<float[]> () |
static List< string > | helixChainList = new List<string>() |
static List< string > | strandChainList = new List<string> () |
static Vector3 | target =new Vector3(0f,0f,0f) |
static Vector3 | cameraLocation =new Vector3(10f,10f,10f) |
static Vector3 | Offset =new Vector3(0f,0f,0f) |
static Vector3 | Center =new Vector3(0f,0f,0f) |
static Vector3 | MinValue = new Vector3(0f,0f,0f) |
static Vector3 | MaxValue = new Vector3(0f,0f,0f) |
static ColorObject | oxygenColor = new ColorObject(new Color(0.827f,0.294f,0.333f,1f)) |
static ColorObject | carbonColor = new ColorObject(new Color(0.282f,0.6f,0.498f,1f)) |
static ColorObject | nitrogenColor = new ColorObject(new Color(0.443f,0.662f,0.882f,1f)) |
static ColorObject | hydrogenColor = new ColorObject(Color.white) |
static ColorObject | sulphurColor = new ColorObject(new Color(1f,0.839f,0.325f,1f)) |
static ColorObject | phosphorusColor = new ColorObject(new Color(0.960f,0.521f,0.313f,1f)) |
static ColorObject | unknownColor = new ColorObject(new Color(1f,0.4f,1f,1f)) |
static string | oxygenNumber ="0" |
static string | carbonNumber ="0" |
static string | nitrogenNumber ="0" |
static string | hydrogenNumber ="0" |
static string | sulphurNumber ="0" |
static string | phosphorusNumber ="0" |
static string | unknownNumber ="0" |
static Dictionary< string, GameObject[]> | atomsByChar = new Dictionary<string, GameObject[]>() |
static ArrayList | atoms = new ArrayList() |
static GameObject[] | clubs |
static Vector3 | vo =new Vector3(0.66f,0.66f,0.66f) |
static Vector3 | vc =new Vector3(0.86f,0.86f,0.86f) |
static Vector3 | vn =new Vector3(0.80f,0.80f,0.80f) |
static Vector3 | vh =new Vector3(0.78f,0.78f,0.78f) |
static Vector3 | vs =new Vector3(1.04f,1.04f,1.04f) |
static Vector3 | vp =new Vector3(1.30f,1.30f,1.30f) |
static Vector3 | vno =new Vector3(1f,1f,1f) |
static float | oxygenScale =100f |
static float | carbonScale =100f |
static float | nitrogenScale =100f |
static float | hydrogenScale =100f |
static float | sulphurScale =100f |
static float | phosphorusScale =100f |
static float | unknownScale =100f |
static long | atomsnumber =0 |
static long | bondsnumber =0 |
static string | FPS ="" |
static Particle[] | p |
static Particle[] | fieldlinep |
static string | newtooltip |
static bool | fieldLineFileExists =false |
static bool | dxFileExists = false |
static bool | surfaceFileExists =false |
static bool | networkLoaded = false |
static Vector3[] | vertices |
Definition at line 71 of file MoleculeModel.cs.
Molecule.Model.MoleculeModel.MoleculeModel | ( | ) |
Definition at line 441 of file MoleculeModel.cs.
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Definition at line 356 of file MoleculeModel.cs.
References ColorObject.color.
Referenced by Selections.clearSelection(), SurfaceManager.ColorVertices(), ParseData.ParsePDB.RequestPDB.ReadAnimTop(), and ParsePDB.ReadPDB2().
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Definition at line 130 of file MoleculeModel.cs.
Referenced by ParsePDB.ReadPDB2(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 392 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB(), Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHBBB(), Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomRC(), Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomRCBB(), Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomRCSprite(), Molecule.View.DisplayAtom.AtomCubeStyle.CreateCombineMeshHyperBall(), Molecule.View.DisplayBond.BondTubeStyle.CreateTube(), Molecule.View.DisplayAtom.AtomSphereStyle.DisplayAtomMethodBySphere(), Molecule.View.DisplayAtom.AtomSphereStyle.DisplayAtoms(), Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtoms(), HBallMeshManager.GetBall(), HBallManager.Init(), Reorient.Reorient.LoadSymmetry(), UI.GUIDisplay.OpenAnimationCrdCallback(), HStickManager.ResetColorsInteractive(), HStickManager.ResetPositionsInteractive(), HStickManager.ResetTextures(), Selections.selectResidue(), StickUpdate.Start(), Molecule3D.Update(), and Molecule.Control.ControlMolecule.UpdateBondsFromGameObject().
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Definition at line 391 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayMolecule.AddPhysics(), and Molecule.View.DisplayMolecule.DeletePhysics().
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The chain of each atom.
Definition at line 161 of file MoleculeModel.cs.
Referenced by AtomTree.Build(), GuidedNavigationManager.computeSpreadPart(), GuidedNavigationManager.get_com(), Reorient.Reorient.LoadSymmetry(), GuidedNavigationManager.NarrowHyperballs(), GuidedNavigationManager.NarrowSpheres(), ParsePDB.ReadPDB2(), CubeManager.SetColor(), HBallMeshManager.SetColor(), SphereManager.SetColor(), HBallManager.SetColor(), CubeManager.SetRadii(), SphereManager.SetRadii(), HBallManager.SetRadii(), HBallManager.SetTexture(), GuidedNavigationManager.SpreadHyperballs(), GuidedNavigationManager.SpreadSpheres(), and ClickAtom.Update().
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The color of each atom.
Definition at line 186 of file MoleculeModel.cs.
Referenced by AtomTree.Build(), DepthCueing.BuildColorList(), AmbientOcclusion.BuildColorList(), SurfaceManager.ColorVertices(), DepthCueing.Darken(), Molecule.View.DisplayAtom.AtomParticleStyle.DisplayAtomParticle(), HBallManager.ManagePhysics(), AmbientOcclusion.Occlude(), ParseData.ParsePDB.RequestPDB.ReadAnimTop(), ParsePDB.ReadPDB2(), CubeManager.ResetColors(), LineManager.ResetColors(), CubeBondManager.ResetColors(), HStickManager.ResetColors(), SphereManager.ResetColors(), StickUpdate.ResetColors(), HStickMeshManager.ResetColors(), HBallManager.ResetColors(), DepthCueing.Revert(), AmbientOcclusion.Revert(), CubeManager.SetColor(), HBallMeshManager.SetColor(), SphereManager.SetColor(), HBallManager.SetColor(), BondCubeUpdate.Start(), and StickUpdate.Start().
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Definition at line 268 of file MoleculeModel.cs.
Referenced by HBallManager.computeEllipsoidOrientation(), HBallManager.findAtoms(), and HBallManager.UpdateEllipsoids().
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The atoms per ellipsoids per residue for HiRERNA rendering Key is the residue id Value is an array of atom ids (3 in any case) parameterizing the ellipsoid
Definition at line 266 of file MoleculeModel.cs.
Referenced by HBallManager.ActivateBases(), HBallManager.computeEllipsoidNormal(), HBallManager.computeEllipsoidPosition(), HBallManager.DeactivateBases(), and HBallManager.findAtoms().
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The coordinates of each atom, simulated through an IMD simulation.
List of float[3].
Definition at line 84 of file MoleculeModel.cs.
Referenced by RNAView.computeEnergyForBasePair(), ArtemisManager.connect(), RNAView.ENewPlane(), SnapshotManager.generateSnapshot(), ArtemisThreadedClient.mainProc(), LineManager.ResetIMDSimulationPositions(), HStickManager.ResetIMDSimulationPositions(), HStickMeshManager.ResetIMDSimulationPositions(), CubeManager.ResetIMDSimulationPositions(), SphereManager.ResetIMDSimulationPositions(), HBallMeshManager.ResetIMDSimulationPositions(), and HBallManager.ResetIMDSimulationPositions().
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Definition at line 188 of file MoleculeModel.cs.
Referenced by Molecule3D.clearScene(), ParsePDB.ReadPDB2(), HStickManager.ResetRadii(), HStickMeshManager.ResetRadii(), CubeManager.ResetRadii(), SphereManager.ResetRadii(), HBallMeshManager.ResetRadii(), HBallManager.ResetRadii(), CubeManager.SetRadii(), SphereManager.SetRadii(), HBallMeshManager.SetRadii(), and HBallManager.SetRadii().
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The coordinates of each atom.
List of float[4].
Definition at line 79 of file MoleculeModel.cs.
Referenced by AmbientOcclusion.AmbientOcclusion(), Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), AtomTree.Build(), Molecule.Control.ControlMolecule.BuildMoleculeComponents(), PDBtoDEN.CapResolution(), SurfaceManager.ColorVertices(), GuidedNavigationManager.computeSpreadHelix(), GuidedNavigationManager.computeSpreadPart(), BFactorRep.CreateBFRep(), Molecule.View.DisplayBond.BondCubeStyle.CreateCylinderByShader(), Molecule.View.DisplayBond.BondLineStyle.CreateLine(), Molecule.Control.ControlMolecule.CreateResidues(), Molecule.Control.ControlMolecule.CreateResiduesSugar2(), Molecule.Control.ControlMolecule.CreateSplines(), Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomMethodByCube(), Molecule.View.DisplayAtom.AtomMeshStyle.DisplayAtoms(), Molecule.View.DisplayAtom.AtomParticleStyle.DisplayAtoms(), Molecule.View.DisplayAtom.AtomSphereStyle.DisplayAtoms(), Molecule.View.DisplayBond.BondMeshStyle.DisplayBondsMethodByMesh(), SphereManager.EnableRenderers(), ShurikenParticleManager.EnableRenderers(), GuidedNavigationManager.get_com(), OptimalView.OptimalView.GetOptimalPosition(), QuadAtoms.Init(), ParseData.ParsePDB.SocketPDB.loadPDB(), Reorient.Reorient.LoadSymmetry(), GuidedNavigationManager.NearSpreading(), ParseData.ParsePDB.RequestPDB.ReadAnimCrd(), ParsePDB.ReadPDB2(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), GuidedNavigationManager.ResetChainPosForHyperballs(), GuidedNavigationManager.ResetChainPosForSpheres(), CubeBondManager.ResetColors(), HStickManager.ResetPositions(), HStickMeshManager.ResetPositions(), CubeBondManager.ResetPositions(), ShurikenParticleManager.ResetPositions(), CubeManager.ResetPositions(), SphereManager.ResetPositions(), HBallMeshManager.ResetPositions(), HBallManager.ResetPositions(), AlphaChainSmoother.ReSpline(), RingBlending.RingBlending(), BondCubeUpdate.Start(), StickUpdate.Start(), SugarRibbons.SugarRibbons(), PDBtoDEN.TranPDBtoDEN(), ClickAtom.Update(), maxCamera.Update(), Molecule.Control.ControlMolecule.UpdateBondsFromGameObject(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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The name of each atom.
E.g.: O, N, C, H1, H2, etc. List of strings.
Definition at line 109 of file MoleculeModel.cs.
Referenced by HBallManager.ActivateBases(), Molecule.Control.ControlMolecule.BuildHireRnaHydrogenBondsStructures(), Molecule.Control.ControlMolecule.BuildMoleculeComponents(), Molecule.Control.ControlMolecule.CheckHiRERNAModel(), HBallManager.computeEllipsoidPosition(), RNAView.computeEnergyForBasePair(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateBondsEPList(), Molecule.Control.ControlMolecule.CreateBondsListWindow(), Molecule.Control.ControlMolecule.CreateResidues(), Molecule.Control.ControlMolecule.CreateResiduesSugar2(), Molecule.Control.ControlMolecule.CreateSplines(), HBallManager.DeactivateBases(), HBallManager.findAtoms(), HBallManager.findBonds(), RNAView.findHbonds(), SnapshotManager.generateSnapshot(), Reorient.Reorient.LoadSymmetry(), ParseData.ParsePDB.RequestPDB.ReadAnimTop(), ParsePDB.ReadPDB2(), HBallMeshManager.ResetIMDSimulationPositions(), HBallMeshManager.ResetPositions(), HBallMeshManager.ResetRadii(), HBallMeshManager.ResetVisibility(), AlphaChainSmoother.ReSpline(), RingBlending.RingBlending(), CubeManager.SetColor(), HBallMeshManager.SetColor(), SphereManager.SetColor(), HBallManager.SetColor(), CubeManager.SetRadii(), SphereManager.SetRadii(), HBallMeshManager.SetRadii(), HBallManager.SetRadii(), HBallManager.SetTexture(), HBallMeshManager.showHydrogens(), RingBlending.ShowOxySphere(), SugarRibbons.SugarRibbons(), and ClickAtom.Update().
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Definition at line 418 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents(), ArtemisManager.connect(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomMethodByCube(), Molecule.View.DisplayAtom.AtomSphereStyle.DisplayAtomMethodBySphere(), ParseData.ParsePDB.SocketPDB.loadPDB(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), UI.GUIMoleculeController.RenderHelp(), and AlphaChainSmoother.ReSpline().
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The number of each atoms (in the PDB file)
Definition at line 115 of file MoleculeModel.cs.
Referenced by AtomTree.Build(), ParsePDB.ReadPDB2(), and ClickAtom.Update().
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The name of the residue to which each atom belongs.
E.g.: ALA, LEU, ASP, etc. List of strings.
Definition at line 141 of file MoleculeModel.cs.
Referenced by AtomTree.Build(), Molecule.Control.ControlMolecule.CreateSequenceString(), HBallManager.findAtoms(), HBallManager.GenerateEllipsoids(), SnapshotManager.generateSnapshot(), SugarManager.Hide_No_Sugar_Hyperballs(), Reorient.Reorient.LoadSymmetry(), ParseData.ParsePDB.RequestPDB.ReadAnimTop(), ParsePDB.ReadPDB2(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), RingBlending.RingBlending(), CubeManager.SetColor(), HBallMeshManager.SetColor(), SphereManager.SetColor(), HBallManager.SetColor(), CubeManager.SetRadii(), SphereManager.SetRadii(), HBallManager.SetRadii(), HBallManager.SetTexture(), SugarManager.show_HyperBalls_Sugar(), SugarRibbons.SugarRibbons(), PDBtoDEN.TranPDBtoDEN(), and ClickAtom.Update().
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Definition at line 122 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents(), Molecule.Control.ControlMolecule.CreateSplines(), ParseData.ParsePDB.SocketPDB.loadPDB(), ParsePDB.ReadPDB2(), SugarRibbons.SugarRibbons(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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Definition at line 117 of file MoleculeModel.cs.
Referenced by ParsePDB.ReadPDB2(), and SugarRibbons.SugarRibbons().
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Definition at line 118 of file MoleculeModel.cs.
Referenced by ParsePDB.ReadPDB2(), and SugarRibbons.SugarRibbons().
Definition at line 125 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents(), Molecule.Control.ControlMolecule.CreateSplines(), ParseData.ParsePDB.SocketPDB.loadPDB(), and ParsePDB.ReadPDB2().
The type of each atom.
List of AtomModel.
Definition at line 104 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomParticleStyle.AtomListByAxisOrder(), Molecule.View.DisplayAtom.AtomCubeStyle.AtomListByAxisOrder(), AtomTree.Build(), Molecule.Control.ControlMolecule.BuildMoleculeComponents(), Selections.clearSelection(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomMethodByCube(), Molecule.View.DisplayAtom.AtomMeshStyle.DisplayAtoms(), Molecule.View.DisplayAtom.AtomSphereStyle.DisplayAtoms(), Molecule.View.DisplayBond.BondMeshStyle.DisplayBondsMethodByMesh(), HBallManager.findBonds(), SugarManager.Hide_No_Sugar_Hyperballs(), QuadAtoms.Init(), ParseData.ParsePDB.SocketPDB.loadPDB(), Reorient.Reorient.LoadSymmetry(), ParseData.ParsePDB.RequestPDB.ReadAnimTop(), ParsePDB.ReadPDB2(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), HStickManager.ResetRadii(), HStickMeshManager.ResetRadii(), CubeManager.ResetRadii(), SphereManager.ResetRadii(), HBallMeshManager.ResetRadii(), HBallManager.ResetRadii(), AlphaChainSmoother.ReSpline(), HBallMeshManager.SetColor(), SugarManager.show_HyperBalls_Sugar(), LineManager.showHydrogens(), CubeBondManager.showHydrogens(), HStickMeshManager.showHydrogens(), ShurikenParticleManager.showHydrogens(), HStickManager.showHydrogens(), HBallMeshManager.showHydrogens(), PDBtoDEN.TranPDBtoDEN(), and ClickAtom.Update().
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Sometimes inside pdbs lists are not sorted, and residues mixed So I had to create this list to sort residues index by chain ID.
Backup CaSplineChainList (chain of each carbon alpha in the CA-Spline). Used in ReSpline and BfactorRep
Definition at line 254 of file MoleculeModel.cs.
Referenced by BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), and AlphaChainSmoother.ReSpline().
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Backup of the coordinates of each Carbon alpha.
List of float[3].
Definition at line 94 of file MoleculeModel.cs.
Referenced by BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), and Reorient.Reorient.LoadSymmetry().
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The index (in tables) of the base extremity.
Definition at line 273 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildHireRnaHydrogenBondsStructures(), and RNAView.computeEnergyForBasePair().
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Bfactor of each atom.
Definition at line 259 of file MoleculeModel.cs.
Referenced by AtomTree.Build(), SurfaceManager.ColorVertices(), BFactorRep.CreateBFRep(), ParseData.ParsePDB.RequestPDB.ReadAnimTop(), ParsePDB.ReadPDB2(), and PDBtoDEN.TranPDBtoDEN().
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The bonds between carbon alpha in the CA-Spline.
Each element of this list is an int[2] where: int[0] is the index of the first CA, int[1] is the second one.
Definition at line 231 of file MoleculeModel.cs.
Referenced by BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), Molecule.View.DisplayBond.BondMeshStyle.DisplayBonds(), Molecule.View.DisplayBond.BondCubeStyle.DisplayBonds(), Molecule.View.DisplayBond.BondTubeStyle.DisplayBonds(), Molecule.View.DisplayBond.BondLineStyle.DisplayBonds(), and AlphaChainSmoother.ReSpline().
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Dictionary of every bounded atoms (which atoms whith which atoms).
Definition at line 213 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.CreateBondsEPList(), and Molecule.Control.ControlMolecule.CreateBondsListWindow().
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The bonds between atoms.
Each element of this list is an int[2] where: int[0] is the index of the first atom, int[1] is the second one.
Definition at line 208 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), Molecule.View.DisplayBond.BondMeshStyle.DisplayBonds(), Molecule.View.DisplayBond.BondCubeStyle.DisplayBonds(), Molecule.View.DisplayBond.BondTubeStyle.DisplayBonds(), Molecule.View.DisplayBond.BondParticleStyle.DisplayBonds(), Molecule.View.DisplayBond.BondLineStyle.DisplayBonds(), HStickMeshManager.hideBondForAtom(), ParseData.ParsePDB.SocketPDB.loadPDB(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), HStickMeshManager.ResetColors(), HStickManager.ResetIMDSimulationPositions(), HStickMeshManager.ResetIMDSimulationPositions(), HStickMeshManager.ResetPositions(), HStickMeshManager.ResetRadii(), HStickMeshManager.ResetVisibility(), AlphaChainSmoother.ReSpline(), RingBlending.RingBlending(), HStickMeshManager.showHydrogens(), and SugarRibbons.SugarRibbons().
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Definition at line 124 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents(), Molecule.Control.ControlMolecule.CreateSplines(), ParseData.ParsePDB.SocketPDB.loadPDB(), and SugarRibbons.SugarRibbons().
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Not used anymore.
The bonds between atoms. Each element of this list is an int[2] where: int[0] is the index of the first atom, int[1] is the second one.
Definition at line 201 of file MoleculeModel.cs.
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Definition at line 128 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.CreateBondsEPList(), Molecule.Control.ControlMolecule.CreateBondsListWindow(), and ParsePDB.ReadPDB2().
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Definition at line 290 of file MoleculeModel.cs.
Referenced by HBallManager.ActivateBases(), HBallManager.DeactivateBases(), and HBallManager.findBonds().
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Definition at line 419 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), Molecule.View.DisplayBond.BondMeshStyle.DisplayBonds(), Molecule.View.DisplayBond.BondTubeStyle.DisplayBonds(), Molecule.View.DisplayBond.BondLineStyle.DisplayBonds(), ParseData.ParsePDB.SocketPDB.loadPDB(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), UI.GUIMoleculeController.RenderHelp(), and AlphaChainSmoother.ReSpline().
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Definition at line 322 of file MoleculeModel.cs.
Referenced by ParseData.ParsePDB.SocketPDB.loadPDB(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), maxCamera.ToCenter(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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Definition at line 347 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), Molecule.Model.AtomModel.InitHiRERNA(), UI.GUIDisplay.SetAtomColor(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 369 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.AtomScales(), and Molecule.Control.ControlMolecule.BuildMoleculeComponents().
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Definition at line 409 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.AtomCubeStyle(), Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), and Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB().
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The chain of each carbon alpha in the CA-Spline.
Definition at line 241 of file MoleculeModel.cs.
Referenced by BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), GuidedNavigationManager.get_com(), GuidedNavigationManager.NarrowCAlpha(), ParseData.ParsePDB.RequestPDB.ReadAnimTop(), ParsePDB.ReadPDB2(), AlphaChainSmoother.ReSpline(), and GuidedNavigationManager.SpreadCAlpha().
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The coordinates of each Carbon alpha in the CA-Spline.
List of float[3].
Definition at line 99 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomMethodByCube(), Molecule.View.DisplayAtom.AtomParticleStyle.DisplayAtoms(), Molecule.View.DisplayAtom.AtomSphereStyle.DisplayAtoms(), GuidedNavigationManager.get_com(), GuidedNavigationManager.ResetChainPosForHyperballsAndSecondaryStructure(), and AlphaChainSmoother.ReSpline().
Type of each carbon alpha in the CA-Spline.
List of AtomModel.
Definition at line 236 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomParticleStyle.AtomListByAxisOrder(), Molecule.View.DisplayAtom.AtomCubeStyle.AtomListByAxisOrder(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomMethodByCube(), Molecule.View.DisplayAtom.AtomSphereStyle.DisplayAtoms(), and AlphaChainSmoother.ReSpline().
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The coordinates of each Carbon alpha.
List of float[3].
Definition at line 89 of file MoleculeModel.cs.
Referenced by SecondaryStructureOldGUI.ChooseStructure_BF(), Molecule.Control.ControlMolecule.CreateSplines(), Reorient.Reorient.LoadSymmetry(), ParseData.ParsePDB.RequestPDB.ReadAnimCrd(), ParsePDB.ReadPDB2(), AlphaChainSmoother.ReSpline(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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The barycenter of the molecule.
Vector3.
Definition at line 333 of file MoleculeModel.cs.
Referenced by GeometryBuffer.PopulateMeshes(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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Definition at line 394 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.UpdateBondsFromGameObject().
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Definition at line 218 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB(), Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), and ParseData.ParsePDB.RequestPDB.ReadXGMML().
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Definition at line 215 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.CreateBondsCSList(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), and ClickAtom.Update().
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Definition at line 219 of file MoleculeModel.cs.
Referenced by ParseData.ParsePDB.RequestPDB.ReadXGMML(), and ClickAtom.Update().
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Definition at line 217 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB(), Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), and ClickAtom.Update().
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Definition at line 216 of file MoleculeModel.cs.
Referenced by ParseData.ParsePDB.RequestPDB.ReadXGMML(), and ClickAtom.Update().
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Definition at line 431 of file MoleculeModel.cs.
Referenced by ElectrostaticOldGUI.Electrostatics(), ParsePDB.LoadPDBRequest2(), and UI.LoadTypeGUI.MainFun().
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Contiguous (really?) list of ellipsoids
Definition at line 283 of file MoleculeModel.cs.
Referenced by HBallManager.ActivateEllipsoids(), HBallManager.DeactivateEllipsoids(), HBallManager.DestroyAll(), HBallManager.GenerateEllipsoids(), and HBallManager.SetTexture().
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The ellipsoids per residue.
Definition at line 288 of file MoleculeModel.cs.
Referenced by HBallManager.computeEllipsoidOrientation(), HBallManager.GenerateEllipsoids(), and HBallManager.UpdateEllipsoids().
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List of the chains existing in the molecule.
Definition at line 181 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.ChainsMenu(), Molecule3D.clearScene(), Ribbons.CreateSSlist(), GuidedNavigationManager.LateUpdateManager(), and ParsePDB.ReadPDB2().
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List of the names existing in the molecule.
Definition at line 136 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.AtomsExtendedMenu(), Molecule3D.clearScene(), and ParsePDB.ReadPDB2().
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List of the residues existing in the molecule.
Definition at line 146 of file MoleculeModel.cs.
Referenced by Molecule3D.clearScene(), and UI.GUIDisplay.ResiduesMenu().
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Definition at line 429 of file MoleculeModel.cs.
Referenced by ElectrostaticManager.DestroyFieldLines(), FieldLineStyle.DisplayFieldLine(), ElectrostaticOldGUI.Electrostatics(), RepresentationOldGUI.HyperballStyle(), ToolsGUI.Interact(), and ParsePDB.LoadPDBRequest2().
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Definition at line 221 of file MoleculeModel.cs.
Referenced by FieldLineStyle.DisplayFieldLine(), ParsePDB.LoadJsonRequest(), ParseData.ParsePDB.RequestPDB.LoadJsonWWW(), and ParsePDB.LoadPDBRequest2().
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Definition at line 425 of file MoleculeModel.cs.
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First residue number in pdb.
Definition at line 176 of file MoleculeModel.cs.
Referenced by Ribbons.CreateRibbons(), and ParsePDB.ReadPDB2().
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Definition at line 421 of file MoleculeModel.cs.
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The helix chain list (extract from the pdb).
Definition at line 314 of file MoleculeModel.cs.
Referenced by Ribbons.FindHelix(), and ParsePDB.ReadPDB2().
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Definition at line 349 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), UI.GUIDisplay.SetAtomColor(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 371 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.AtomScales(), and Molecule.Control.ControlMolecule.BuildMoleculeComponents().
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Definition at line 411 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.AtomCubeStyle(), Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), and Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB().
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The "biggest" corner of the bounding box that encloses the molecule.
Definition at line 343 of file MoleculeModel.cs.
Referenced by AtomTree.Build(), GuidedNavigationManager.computeSpreadingVector(), GuidedNavigationManager.computeSpreadPart(), GuidedNavigationManager.CreateAxeAndOrigin(), GuidedNavigationManager.goDownConstrained(), GuidedNavigationManager.goUpConstrained(), SurfaceManager.InitCutParameters(), GuidedNavigationManager.keyboard(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), GuidedNavigationManager.ReorientCamera(), PDBtoDEN.TranPDBtoDEN(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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The "smallest" corner of the bounding box that encloses the molecule.
Definition at line 338 of file MoleculeModel.cs.
Referenced by AmbientOcclusion.AmbientOcclusion(), AtomTree.Build(), GuidedNavigationManager.computeSpreadingVector(), GuidedNavigationManager.computeSpreadPart(), GuidedNavigationManager.CreateAxeAndOrigin(), GuidedNavigationManager.goDownConstrained(), GuidedNavigationManager.goUpConstrained(), VolumetricDensity.Init(), SurfaceManager.InitCutParameters(), GuidedNavigationManager.keyboard(), Reorient.Reorient.LoadSymmetry(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), GuidedNavigationManager.ReorientCamera(), PDBtoDEN.TranPDBtoDEN(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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Definition at line 436 of file MoleculeModel.cs.
Referenced by RepresentationOldGUI.HyperballStyle(), Molecule3D.OnGUI(), ParseData.ParsePDB.RequestPDB.ReadAnimCrd(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), and HBallManager.Update().
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Definition at line 427 of file MoleculeModel.cs.
Referenced by AdvancedOptionsOldGUI.AdvOptions(), RepresentationOldGUI.AtomMenu(), UI.GUIDisplay.AtomScales(), UI.GUIDisplay.AtomsExtendedMenu(), RepresentationOldGUI.AtomStyle(), AdvancedOptionsOldGUI.BackColor(), AdvancedOptionsOldGUI.Background(), AdvancedOptionsOldGUI.BackGroundControl(), RepresentationOldGUI.Bond(), UI.GUIDisplay.ChainsMenu(), SecondaryStructureOldGUI.ChooseSmoothness_BF(), SecondaryStructureOldGUI.ChooseStructure_BF(), AdvancedOptionsOldGUI.Effects(), ElectrostaticOldGUI.Electrostatics(), ElectrostaticOldGUI.FieldLines(), UI.GUIMoleculeController.LabelSlider(), ColorPicker.loadColor(), AdvancedOptionsOldGUI.LoadScreenShot(), Reorient.Reorient.LoadSymmetry(), UI.LoadTypeGUI.MainFun(), RepresentationOldGUI.Metaphor(), RepresentationOldGUI.MetaphorControl(), Molecule3D.OnGUI(), UI.GUIDisplay.PanelsMenu(), RepresentationOldGUI.PhysicalChoice(), RepresentationOldGUI.RenderingParameters(), UI.GUIDisplay.ResiduesMenu(), RepresentationOldGUI.SetAtomStyle(), SurfaceOldGUI.Surface(), SurfaceOldGUI.SurfaceParams(), and SurfaceOldGUI.textureMenu().
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Definition at line 348 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), UI.GUIDisplay.SetAtomColor(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 370 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.AtomScales(), and Molecule.Control.ControlMolecule.BuildMoleculeComponents().
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Definition at line 410 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.AtomCubeStyle(), Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), and Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB().
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The offset for the molecule.
The original barycenter of the molecule + this = (0,0,0). Vector3. Also used for density grids.
Definition at line 328 of file MoleculeModel.cs.
Referenced by AdvancedOptionsOldGUI.AdvOptions(), ParseData.ParsePDB.SocketPDB.loadPDB(), ParsePDB.LoadPDBRequest2(), GeometryBuffer.PopulateMeshes(), ParseData.ParsePDB.RequestPDB.ReadAnimCrd(), ElectrostaticManager.ReadDxFile(), ParseData.ParsePDB.RequestPDB.ReadPDBReaction(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), ElectrostaticManager.RecenterFieldLines(), SurfaceManager.RecenterSurfaces(), ClickAtom.Update(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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Definition at line 346 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), Molecule.Model.AtomModel.InitHiRERNA(), UI.GUIDisplay.SetAtomColor(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 368 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.AtomScales(), and Molecule.Control.ControlMolecule.BuildMoleculeComponents().
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Definition at line 408 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.AtomCubeStyle(), Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), and Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB().
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Definition at line 423 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), Molecule.View.DisplayAtom.AtomParticleStyle.CreateParticleBall(), and ShurikenParticleManager.Init().
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Definition at line 351 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), Molecule.Model.AtomModel.InitHiRERNA(), UI.GUIDisplay.SetAtomColor(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 375 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.AtomScales(), and Molecule.Control.ControlMolecule.BuildMoleculeComponents().
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Definition at line 415 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.AtomCubeStyle(), Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), and Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB().
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The chain of each residue (only work if residues are numbered by chain).
Definition at line 166 of file MoleculeModel.cs.
Referenced by SugarRibbons.create_Bond(), SugarRibbons.generateBiggerCycleMesh(), ParsePDB.ReadPDB2(), and SugarRibbons.SugarRibbons().
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The chain of each residue.
Definition at line 171 of file MoleculeModel.cs.
Referenced by Ribbons.ComputeNbRes(), Ribbons.CreateRibbons(), and ParsePDB.ReadPDB2().
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Definition at line 292 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.CreateResidues(), Ribbons.CreateRibbons(), and Reorient.Reorient.LoadSymmetry().
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Definition at line 293 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.CreateResiduesSugar2().
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The residue identifiers.
One per atom.
Definition at line 151 of file MoleculeModel.cs.
Referenced by Molecule3D.clearScene(), GuidedNavigationManager.computeSpreadPart(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateResidues(), Molecule.Control.ControlMolecule.CreateResiduesSugar2(), SnapshotManager.generateSnapshot(), Reorient.Reorient.LoadSymmetry(), ParsePDB.ReadPDB2(), AlphaChainSmoother.ReSpline(), GuidedNavigationManager.SpreadSpheres(), and ClickAtom.Update().
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The residues.
Keys: residue IDs. Values: list of atoms IDs.
Definition at line 156 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildHireRnaHydrogenBondsStructures(), Molecule3D.clearScene(), Molecule.Control.ControlMolecule.CreateSequenceString(), HBallManager.findAtoms(), RNAView.findHbonds(), HBallManager.GenerateEllipsoids(), ParsePDB.ReadPDB2(), and Selections.selectResidue().
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Definition at line 123 of file MoleculeModel.cs.
Referenced by ParsePDB.ReadPDB2(), and SugarRibbons.SugarRibbons().
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RNA Scale parameters
Definition at line 278 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.BuildHireRnaHydrogenBondsStructures(), RNAView.Ehbond(), and RNAView.NewPlane().
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Definition at line 72 of file MoleculeModel.cs.
Referenced by Molecule.Control.ControlMolecule.CreateSplines(), and VARNABillboard.generateFileInThread().
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Terminal residue number of each subunits.
Definition at line 193 of file MoleculeModel.cs.
Referenced by Ribbons.CreateRibbons(), and ParsePDB.ReadPDB2().
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List of informations about each helix (extract from the pdb) float[0] is the first residue of each helix float[1] is the last residue of each helix float[2] the length of each helix float[3] the class of each helix
Definition at line 302 of file MoleculeModel.cs.
Referenced by Ribbons.CreateRibbons(), Ribbons.FindHelix(), and ParsePDB.ReadPDB2().
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First and last residue of each strand (extract from the pdb) float[0] is the first residue of each strand float[1] is the last residue of each strand
Definition at line 309 of file MoleculeModel.cs.
Referenced by Ribbons.CreateRibbons(), Ribbons.FindStrand(), and ParsePDB.ReadPDB2().
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The strand chain list (extract from the pdb).
Definition at line 319 of file MoleculeModel.cs.
Referenced by Ribbons.FindStrand(), and ParsePDB.ReadPDB2().
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Definition at line 119 of file MoleculeModel.cs.
Referenced by SugarManager.Hide_No_Sugar_Hyperballs(), ParsePDB.ReadPDB2(), SugarManager.show_HyperBalls_Sugar(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 350 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), UI.GUIDisplay.SetAtomColor(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 372 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.AtomScales(), and Molecule.Control.ControlMolecule.BuildMoleculeComponents().
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Definition at line 412 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.AtomCubeStyle(), Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle(), and Molecule.View.DisplayAtom.AtomCubeStyle.CreateAtomHB().
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Definition at line 433 of file MoleculeModel.cs.
Referenced by ElectrostaticOldGUI.Electrostatics(), SurfaceManager.GenerateSurface(), SurfaceManager.GenerateSurfaceBfact(), RepresentationOldGUI.HyperballStyle(), ToolsGUI.Interact(), Molecule3D.loadFile(), ParsePDB.LoadPDBRequest2(), and SurfaceOldGUI.Surface().
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Definition at line 321 of file MoleculeModel.cs.
Referenced by ParseData.ParsePDB.SocketPDB.loadPDB(), ParseData.ParsePDB.RequestPDB.ReadXGMML(), Molecule3D.SetCenter(), ClickAtom.Update(), and Molecule.Control.ControlMolecule.UpdateMoleculeCenter().
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Definition at line 352 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.DisplayAtomCube(), UI.GUIDisplay.SetAtomColor(), and PDBtoDEN.TranPDBtoDEN().
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Definition at line 376 of file MoleculeModel.cs.
Referenced by UI.GUIDisplay.AtomScales(), and Molecule.Control.ControlMolecule.BuildMoleculeComponents().
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Definition at line 416 of file MoleculeModel.cs.
Referenced by Molecule.View.DisplayAtom.AtomCubeStyle.AtomCubeStyle(), and Molecule.View.DisplayAtom.AtomParticleStyle.AtomParticleStyle().
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Definition at line 399 of file MoleculeModel.cs.
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Definition at line 438 of file MoleculeModel.cs.
Referenced by GenerateMesh.GM(), and GeometryBuffer.PopulateMeshes().
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Definition at line 401 of file MoleculeModel.cs.
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Definition at line 400 of file MoleculeModel.cs.
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Definition at line 406 of file MoleculeModel.cs.
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Definition at line 398 of file MoleculeModel.cs.
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Definition at line 405 of file MoleculeModel.cs.
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Definition at line 402 of file MoleculeModel.cs.