schrodinger.analysis.visanalysis.volumedataio module

schrodinger.analysis.visanalysis.volumedataio.LoadCNSFile(filename)

This function loads a VolumeData object from a CNS file.

Parameters:filename (string) – The .cns formatted file
Returns:The VolumeData object extracted from the .cns file.
Return type:VolumeData
schrodinger.analysis.visanalysis.volumedataio.LoadPickle(stream=None, filename=None)

This function retrieves a VolumeData instance from the specified Python Pickle file.

Parameters:
  • stream (file) – The stream containing the Pickle information. Overrides filename
  • filename (string) – The file containing a Pickle holding a VolumeData object. This argument is ignored if stream is not None.
Returns:

The VolumeData object extracted from the Pickle.
Return type:

VolumeData
schrodinger.analysis.visanalysis.volumedataio.LoadVisFile(filename)

This function retrieves a VolumeData object from a Schrodinger .vis file.

Parameters:filename (string) – A Schrodinger .vis file containing a valid mmvol object
Returns:The VolumeData extracted from the contents of the .vis file
Return type:VolumeData
schrodinger.analysis.visanalysis.volumedataio.SaveCCP4File(volumeData, filename)

This function saves a VolumeData object to a CCP4 file.

Parameters:
  • volumeData (VolumeData) – The VolumeData to be serialised
  • filename (string) – Where to store the .CCP4 file
schrodinger.analysis.visanalysis.volumedataio.SavePickle(volumeData, stream=None, filename=None)

This function saves the specified VolumeData object to the specified file in Python Pickle format.

Parameters:
  • volumeData (VolumeData) – The VolumeData object to be serialised
  • stream (file) – The stream to save the Pickle information to
  • filename (string) – The file to save the Pickle information to. This argument is ignored if stream is not None
schrodinger.analysis.visanalysis.volumedataio.SaveVisFile(volumeData, filename)

This function saves a VolumeData object to a Schrodinger .vis file.

Parameters:
  • volumeData (volumeData) – The VolumeData to be serialised
  • filename (string) – Where to store the .vis file
schrodinger.analysis.visanalysis.volumedataio.Singleton(cls)

This function acts as a decorator to a class defintion. Its purpose is to ensure that only one instance of the class is ever accessible by the user. We use this single instance in place of global variables as it makes the code considerably more explicit.

Parameters:cls (class object) – Specifies the class which is to become a singleton.
Returns:The decorated class-object
Return type:class object