Common files for CMSOS

Core methodology and technical aspects

• Molecular Modeling package
• Capabilities
• Computational protocols
• Notations: Methods, Filenames
• File structure: File types, Folders
• Studied systems: Molecules, Oligomers
• Studied structural types

File formats

• XYZ file format
• CIF file templates: general, used in our computational databases, see also Core CIF Dictionary
• Force field file format
• Tight-binding Hamiltonian file format
• Binary file format
• See also chemical file format, SMILES format and its online translator, notes on editing PDB/ENT files, Open Babel program for different formats conversions

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