Package install :: Package MoSTBioDat :: Package DataBase :: Package ImportData :: Package Data2DB :: Module PDBFile :: Class createSDFile
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Class createSDFile

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object --+
         |
        createSDFile

create SDF file in specified directory INPUT: inboj - input ligand class object dirpath - str, directory path temporary - str, temporary directory path, default /tmp/Ligand sdf2pdb - boolean, convert sdf2pdb, default False aromaticflag - str, oe aromatic flag, default OEAroModelOpenEye addH - boolean, add hydrogen atoms, default False OUTPUT: file

Instance Methods [hide private]
 
__init__(self, inobj, dirpath, **kwargs)
x.__init__(...) initializes x; see x.__class__.__doc__ for signature
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createsdfilepath(self)
create SDF file INPUT: class object OUTPUT: sdf filename absolute path
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createsdfile(self, format='OEFormat_SDF')
create SDF file INPUT: class object format - str, oe file format OUTPUT: SDF file format
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Inherited from object: __delattr__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, inobj, dirpath, **kwargs)
(Constructor)

source code 

x.__init__(...) initializes x; see x.__class__.__doc__ for signature

Overrides: object.__init__
(inherited documentation)