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ViewerFramework.VFCommand.Command --+ | mvCommand.MVCommand --+ | PDBWriter --+ | PDBQTWriter
Command to write PDBQT files using a PDBQT spec compliant writer Package : Pmv Module : fileCommands Class : PDBQTWriter Command : write PDBQT Synopsis: None <--- writePDBQT( nodes, filename=None, sort=True, pdbRec=['ATOM', 'HETATM', 'CONECT'], bondOrigin='all', ssOrigin=None, **kw) Required argument: nodes --- TreeNodeSet holding the current selection Optional arguments: filename --- name of the PDB file (default=None). If None is given The name of the molecule plus the .pdb extension will be used sort --- Boolean flag to either sort or not the nodes before writing the PDB file (default=True) pdbRec --- List of the PDB Record to save in the PDB file. (default: ['ATOM', 'HETATM', 'CONECT'] bondOrigin --- string or list specifying the origin of the bonds to save as CONECT records in the PDB file. Can be 'all' or a tuple ssOrigin --- Flag to specify the origin of the secondary structure information to be saved in the HELIX, SHEET and TURN record. Can either be None, File or Stride.
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doit(self,
nodes,
filename=None,
sort=True,
pdbRec=['ATOM','HETATM','CONECT'],
bondOrigin='all',
ssOrigin=None,
transformed=False) virtual method. |
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__call__(self,
nodes,
filename=None,
sort=True,
pdbRec=['ATOM','HETATM','CONECT'],
bondOrigin='all',
ssOrigin=None,
transformed=False,
**kw) None <- writePDBQT( nodes, filename=None, sort=True, pdbRec=['ATOM', 'HETATM', 'CONECT'], bondOrigin='all', ssOrigin=None, **kw) Required Argument: nodes --- TreeNodeSet holding the current selection Optional Arguments: filename --- name of the PDB file (default=None). |
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Inherited from Inherited from Inherited from Inherited from |
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Inherited from |
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None <- writePDBQT( nodes, filename=None, sort=True, pdbRec=['ATOM', 'HETATM', 'CONECT'], bondOrigin='all', ssOrigin=None, **kw) Required Argument: nodes --- TreeNodeSet holding the current selection Optional Arguments: filename --- name of the PDB file (default=None). If None is given The name of the molecule plus the .pdb extension will be used sort --- Boolean flag to either sort or not the nodes before writing the PDB file (default=True) pdbRec --- List of the PDB Record to save in the PDB file. (default: ['ATOM', 'HETATM', 'CONECT'] bondOrigin --- string or list specifying the origin of the bonds to save as CONECT records in the PDB file. Can be 'all' or a tuple ssOrigin --- Flag to specify the origin of the secondary structure information to be saved in the HELIX, SHEET and TURN record. Can either be None, File or Stride.
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