biotite.structure.io.mol

The MOL format is used to depict atom positions and bonds for small molecules. This subpackage is used for reading and writing an AtomArray in this format. Additionally, reading data from the SDF format, which is a wrapper around MOL, is also supported.

Content

Header	The header for connection tables.
MOLFile	This class represents a file in MOL format, that is used to store structure information for small molecules.
Metadata	Additional nonstructural data in an SD record.
SDFile	This class represents an SD file for storing small molecule structures.
SDRecord	A record in a SD file.
get_structure	Get an AtomArray from the MOL file.
set_structure	Set the AtomArray for the MOL file.