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UnityMol
0.9.6-875
UnityMol viewer / In developement
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Public Member Functions | |
ControlMolecule () | |
Static Public Member Functions | |
static void | CreateResidues () |
static void | CreateResiduesSugar2 () |
static void | CheckHiRERNAModel () |
static void | BuildHireRnaHydrogenBondsStructures () |
static void | BuildMoleculeComponents () |
static void | UpdateMoleculeCenter () |
static void | CreateSplines () |
static List< int[]> | CreateBondsList (List< float[]> atomsLocationlist, List< AtomModel > atomsTypelist) |
static List< int[]> | CreateBondsListWindow (List< float[]> atomsLocationlist, List< AtomModel > atomsTypelist) |
static List< int[]> | CreateBondsEPList (List< float[]> atomsLocationlist, List< AtomModel > atomsTypelist) |
static void | UpdateBondsFromGameObject (ArrayList atoms) |
static List< int[]> | CreateBondsCAList (List< string > caChainlist) |
static string | CreateSequenceString () |
static List< int[]> | CreateBondsList_HiRERNA (List< string > atomnames) |
static List< int[]> | CreateBondsCSList (List< int[]> atomsLocationlist) |
Definition at line 76 of file ControlMolecule.cs.
Molecule.Control.ControlMolecule.ControlMolecule | ( | ) |
Definition at line 78 of file ControlMolecule.cs.
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Definition at line 197 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsNamelist, Molecule.Model.MoleculeModel.baseIdx, UI.GUIDisplay.directorypath, File, Molecule.Model.MoleculeModel.residues, RNAView.RNAView_init(), and Molecule.Model.MoleculeModel.scale_RNA.
Referenced by Molecule3D.OnGUI().
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Builds the molecule's components.
This is called after reading a PDB. It fills everything that always needs to be filled in MoleculeModel.
Definition at line 245 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsLocationlist, Molecule.Model.MoleculeModel.atomsNamelist, Molecule.Model.MoleculeModel.atomsnumber, Molecule.Model.MoleculeModel.atomsSugarLocationlist, Molecule.Model.MoleculeModel.atomsSugarTypelist, Molecule.Model.MoleculeModel.atomsTypelist, Molecule.Model.MoleculeModel.bondEPList, Molecule.Model.MoleculeModel.bondEPSugarList, Molecule.Model.MoleculeModel.bondsnumber, Molecule.Model.MoleculeModel.carbonNumber, Molecule.Control.ControlMolecule.CreateBondsEPList(), Molecule.Control.ControlMolecule.CreateBondsList_HiRERNA(), Molecule.Control.ControlMolecule.CreateBondsListWindow(), UI.UIData.ffType, Molecule.Model.MoleculeModel.hydrogenNumber, Molecule.Model.MoleculeModel.nitrogenNumber, Molecule.Model.MoleculeModel.oxygenNumber, Molecule.Model.MoleculeModel.phosphorusNumber, Molecule.Model.MoleculeModel.sulphurNumber, and Molecule.Model.MoleculeModel.unknownNumber.
Referenced by Reorient.Reorient.LoadSymmetry(), Molecule3D.OnGUI(), and ParseData.ParsePDB.RequestPDB.ReadAnimCrd().
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Checks whether the loaded PDB file follows the HiRE-RNA coarse-grain model or not.
Definition at line 186 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsNamelist, UI.UIData.ffType, and UI.UIData.loadHireRNA.
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Creates a bond list for the carbon alpha splines.
CaChainlist | List of string. The chain of each carbon alpha. |
bond | List of bonds to create. |
Definition at line 810 of file ControlMolecule.cs.
Referenced by BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), and AlphaChainSmoother.ReSpline().
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Definition at line 906 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.CSidList.
Referenced by ParseData.ParsePDB.RequestPDB.ReadXGMML().
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Definition at line 550 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsNamelist, Molecule.Model.MoleculeModel.bondEPDict, Molecule.Model.MoleculeModel.BondListFromPDB, UI.UIData.connectivity_calc, and UI.UIData.connectivity_PDB.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), ParseData.ParsePDB.SocketPDB.loadPDB(), and AlphaChainSmoother.ReSpline().
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Definition at line 447 of file ControlMolecule.cs.
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Definition at line 836 of file ControlMolecule.cs.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents(), BFactorRep.CreateBFRep(), Molecule.Control.ControlMolecule.CreateSplines(), and AlphaChainSmoother.ReSpline().
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Definition at line 485 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsNamelist, Molecule.Model.MoleculeModel.bondEPDict, Molecule.Model.MoleculeModel.BondListFromPDB, UI.UIData.connectivity_calc, and UI.UIData.connectivity_PDB.
Referenced by Molecule.Control.ControlMolecule.BuildMoleculeComponents().
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Definition at line 81 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsLocationlist, Molecule.Model.MoleculeModel.atomsNamelist, Molecule.Model.MoleculeModel.residueDictionaries, and Molecule.Model.MoleculeModel.residueIds.
Referenced by Molecule3D.OnGUI().
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Definition at line 151 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsLocationlist, Molecule.Model.MoleculeModel.atomsNamelist, Molecule.Model.MoleculeModel.residueDictionariesSugar, and Molecule.Model.MoleculeModel.residueIds.
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Definition at line 823 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsResnamelist, and Molecule.Model.MoleculeModel.residues.
Referenced by Molecule.Control.ControlMolecule.CreateSplines().
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Creates the carbon alpha splines.
alist | List of atoms. |
calist | List of Carbon Alpha atoms. |
caChainlist | List of carbon alpha chain. |
typelist | The type of each atom. |
Definition at line 387 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsLocationlist, Molecule.Model.MoleculeModel.atomsNamelist, Molecule.Model.MoleculeModel.atomsnumber, Molecule.Model.MoleculeModel.atomsSugarLocationlist, Molecule.Model.MoleculeModel.atomsSugarTypelist, Molecule.Model.MoleculeModel.atomsTypelist, Molecule.Model.MoleculeModel.backupCaSplineChainList, Molecule.Model.MoleculeModel.backupCatomsLocationlist, Molecule.Model.MoleculeModel.bondCAList, Molecule.Model.MoleculeModel.bondEPList, Molecule.Model.MoleculeModel.bondEPSugarList, Molecule.Model.MoleculeModel.bondsnumber, Molecule.Model.MoleculeModel.CaSplineChainList, Molecule.Model.MoleculeModel.CaSplineList, Molecule.Model.MoleculeModel.CaSplineTypeList, Molecule.Model.MoleculeModel.CatomsLocationlist, Molecule.Control.ControlMolecule.CreateBondsCAList(), Molecule.Control.ControlMolecule.CreateBondsEPList(), Molecule.Control.ControlMolecule.CreateBondsList_HiRERNA(), Molecule.Control.ControlMolecule.CreateSequenceString(), UI.UIData.ffType, Molecule.Model.AtomModel.GetModel(), and Molecule.Model.MoleculeModel.sequence.
Referenced by ParseData.ParsePDB.RequestPDB.ReadAnimCrd().
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Definition at line 667 of file ControlMolecule.cs.
References StickUpdate.atomnumber1, StickUpdate.atomnumber2, Molecule.Model.MoleculeModel.atoms, Molecule.Model.MoleculeModel.atomsLocationlist, Molecule.View.DisplayBond.BondCubeStyle.BondCubeParent, and Molecule.Model.MoleculeModel.clubs.
Referenced by UI.GUIDisplay.OpenAnimationCrdCallback(), and Molecule3D.Update().
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Definition at line 291 of file ControlMolecule.cs.
References Molecule.Model.MoleculeModel.atomsLocationlist, Molecule.Model.MoleculeModel.atomsSugarLocationlist, Molecule.Model.MoleculeModel.cameraLocation, Molecule.Model.MoleculeModel.CatomsLocationlist, Molecule.Model.MoleculeModel.Center, Molecule.Model.MoleculeModel.MaxValue, Molecule.Model.MoleculeModel.MinValue, Molecule.Model.MoleculeModel.Offset, and Molecule.Model.MoleculeModel.target.