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mmCIF

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mmCIF is an open source text data format created in 1996.

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mmCIF (Macromolecular Crystallographic Information File) is a text-based data format developed by the International Union of Crystallography (IUCr) for representing crystallographic information, particularly for macromolecular structures like proteins and nucleic acids. It extends the CIF (Crystallographic Information File) format with a richer dictionary for structural biology data. mmCIF is widely used in the Protein Data Bank (PDB) for storing and exchanging 3D structural data.


Example from the web:
data_1BNA _entry.id 1BNA _struct.title ;NMR Structure of a DNA Dodecamer ; _entity_poly.type polydeoxyribonucleotide _entity_poly.seq ;CGCGAATTCGCG ; _atom_site.group_PDB ATOM _atom_site.id 1 _atom_site.type_symbol C _atom_site.label_atom_id C1' _atom_site.label_comp_id DG _atom_site.label_seq_id 1 _atom_site.Cartn_x -2.123 _atom_site.Cartn_y 3.456 _atom_site.Cartn_z 7.890 #

Language features

Feature Supported Example Token
Floats ✓ _atom_site.Cartn_x -2.123
Integers ✓ _atom_site.id 1
Maps ✓ _entry.id 1BNA
Structs ✓ _struct.title
Strings ✓ "NMR Structure of a DNA Dodecamer"
Line Comments ✓ # This is a comment in mmCIF
Unicode Identifers X
Operators X
Statements X
Expressions X
File Imports X
Functions X
Conditionals X
Lists X
Standard Library X
Booleans X
MultiLine Comments X
Semantic Indentation X

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