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ViewerFramework.VFCommand.Command --+ | mvCommand.MVCommand --+ | ComputeTraceCommand
This command computes the oriented spline (trace) for the molecules in the current selection. It creates a Coil object for each chaine of the molecule having at least one node in the current selection.The Coil object can only be created for the residues having the chosen ctlAtm and torsAtm. Package : Pmv Module : traceCommands Class : ComputeTraceCommand Command : computeTrace keywords: compute trace Synopsis: None <- computeTrace(nodes, traceName='CATrace', ctlAtmName='CA', torsAtmName='O',nbchords = 4, **kw) Required Arguments: nodes --- any set of MolKit nodes describing molecular components Optional Arguments: traceName --- string representing the name of the computed trace. default 'CATrace' ctlAtmName --- name of the atom to be used for control (defaul='CA') torsAtmName --- name of the atom to be used to control the torsion. default='O' nbchords --- number of points per residue. The higher the number the smoother the trace will be.
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pickedVerticesToAtoms(self,
geom,
vertInd) Function called to convert a picked vertex into the first atom of the picked residue |
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onAddCmdToViewer(self) method called when an instance of this command is added to the viewer. |
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atomPropToVertices(self,
geom,
residues,
propName,
propIndex=None) Function called to compute the array of property for the given residues |
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| dialog(self, mol) | ||
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createGeometries(self,
mol,
nodes) Initialize the geometries that will be used to represent the CA Trace objects for the given molecule mol. |
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doit(self,
nodes,
traceName='CATrace',
ctlAtmName='CA',
torsAtmName='O',
nbchords=4) virtual method. |
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| getAvailableTrace(self) | ||
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buildFormDescr(self,
formName) descr <- buildFormDescr(self, formName): this virtual method is implemented in the classes derived from Command. |
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guiCallback(self) Default callback function called by the gui |
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__call__(self,
nodes,
traceName='CATrace',
ctlAtmName='CA',
torsAtmName='O',
nbchords=4,
**kw) None <- computeTrace(nodes, traceName='CATrace', ctlAtmName='CA', torsAtmName='O',nbchords = 4, **kw) Required Arguments: nodes : any set of MolKit nodes describing molecular components Optional Arguments: traceName : string representing the name of the computed trace. |
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Inherited from Inherited from Inherited from |
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Inherited from |
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None <- computeTrace(nodes, traceName='CATrace', ctlAtmName='CA', torsAtmName='O',nbchords = 4, **kw) Required Arguments: nodes : any set of MolKit nodes describing molecular components Optional Arguments: traceName : string representing the name of the computed trace. (default 'CATrace') ctlAtmName : name of the atom to be used for control (defaul='CA') torsAtmName: name of the atom to be used to control the torsion. (default='O') nbchords : number of points per residue. The higher the number the smoother the trace will be. (default = 4)
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