This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- README.txt: README file detailing the content of all other files in detail.
- check_gmol.py: Python script demonstrating how to use the cell2mol module to import and extract information from the accompanying database.
- 8-Copper.tar.zip: Database of cell2mol cell objects containing Cu-containing unit cells.
- 7-Nickel.tar.zip: Database of cell2mol cell objects containing Ni-containing unit cells.
- 6-Cobalt.tar.zip: Database of cell2mol cell objects containing Co-containing unit cells.
- 5-Chromium.tar.zip: Database of cell2mol cell objects containing Cr-containing unit cells.
- 4-Rhenium.tar.zip: Database of cell2mol cell objects containing Re-containing unit cells.
- 3-Ruthenium.tar.zip: Database of cell2mol cell objects containing Ru-containing unit cells.
- 2-Manganese.tar.zip: Database of cell2mol cell objects containing Mn-containing unit cells.
- 1-Iron.tar.zip: Database of cell2mol cell objects containing Fe-containing unit cells.
- T-TMCs.tar.zip: Database of cell2mol TM objects containing unique transition metal complexes.
- L-Ligands.tar.zip: Database of cell2mol ligand objects containing unique ligands.
- O-Other.tar.zip: Database of cell2mol molecule objects containing unique species found in unit cells.