Package schrodinger :: Module structure :: Class Mol2Writer

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Class Mol2Writer

                 object --+        
                          |        
_ReaderWriterContextManager --+    
                              |    
                    _BaseWriter --+
                                  |
                                 Mol2Writer

Mol2 support for the StructureWriter class.

Instance Methods

__init__(self, filename, overwrite=True)
Initialize needed mmlibs and open the file 'filename'.

append(self, st)
Append the provided structure to the file.

close(self)

__del__(self)

Inherited from _BaseWriter: setOption

Inherited from _ReaderWriterContextManager: __enter__, __exit__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

Inherited from object: __class__

Method Details

init(self, filename, overwrite=True)
(Constructor)

Initialize needed mmlibs and open the file 'filename'.

Parameters:

filename (str) - The filename to write to.
overwrite (bool) - If False, append to an existing file if it exists.

Overrides: object.__init__