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ready CHARMM Card File Format

Abbreviation: CRD

General Information
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.).

How to cite this record CRD; CHARMM Card File Format; DOI:; Last edited: Jan. 8, 2019, 1:28 p.m.; Last accessed: Jan 18 2022 1:21 a.m.

Record updated: July 12, 2017, 10:47 a.m. by The FAIRsharing Team.

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson, David J. States, S. Swaminathan, Martin Karplus
Journal of Computational Chemistry 1983

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CHARMM: The Energy Function and Its Parameterization

Alexander D. MacKerell Jr., Bernard Brooks, Charles L. Brooks III, Lennart Nilsson, Benoit Roux, Youngdo Won, Martin Karplus,
Encyclopedia of Computational Chemistry 2002

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