CHARMM Card File Format

Other names: CRD

CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a computational package used for classical, quantum and hybrid quantum/classical simulations. The CHARMM Card File Format (.CRD) stores the standard Cartesian coordinates of the atoms in the system and keeps track of additional molecule information that can be useful for manipulation (i.e. residue name, segment name, segment id, resdiue id, etc.).




atomic coordinate molecular entity

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