DOI: 10.1002/jcc.20945. CHARMM‐GUI: A web‐based graphical user interface for CHARMM

CHARMM‐GUI: A web‐based graphical user interface for CHARMM

10.1002/jcc.20945

Crossref journal-article

Wiley

Journal of Computational Chemistry (311)

Abstract

AbstractCHARMM is an academic research program used widely for macromolecular mechanics and dynamics with versatile analysis and manipulation tools of atomic coordinates and dynamics trajectories. CHARMM‐GUI, http://www.charmm‐gui.org, has been developed to provide a web‐based graphical user interface to generate various input files and molecular systems to facilitate and standardize the usage of common and advanced simulation techniques in CHARMM. The web environment provides an ideal platform to build and validate a molecular model system in an interactive fashion such that, if a problem is found through visual inspection, one can go back to the previous setup and regenerate the whole system again. In this article, we describe the currently available functional modules of CHARMM‐GUI Input Generator that form a basis for the advanced simulation techniques. Future directions of the CHARMM‐GUI development project are also discussed briefly together with other features in the CHARMM‐GUI website, such as Archive and Movie Gallery. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008

Bibliography

Jo, S., Kim, T., Iyer, V. G., & Im, W. (2008). CHARMMâGUI: A webâbased graphical user interface for CHARMM. Journal of Computational Chemistry, 29(11), 1859â1865. Portico.

Authors 4

Sunhwan Jo (first)
Taehoon Kim (additional)
Vidyashankara G. Iyer (additional)
Wonpil Im (additional)

References 64 Referenced 7,632

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Dates

Type	When
Created	17 years, 5 months ago (March 19, 2008, 1:33 p.m.)
Deposited	1 year, 10 months ago (Oct. 16, 2023, 2:58 p.m.)
Indexed	57 minutes ago (Sept. 7, 2025, 10:45 a.m.)
Issued	17 years, 2 months ago (June 10, 2008)
Published	17 years, 2 months ago (June 10, 2008)
Published Online	17 years, 2 months ago (June 10, 2008)
Published Print	17 years, 1 month ago (Aug. 1, 2008)

Funders 0

None

BibTeX

@article{Jo_2008, title={CHARMM‐GUI: A web‐based graphical user interface for CHARMM}, volume={29}, ISSN={1096-987X}, url={http://dx.doi.org/10.1002/jcc.20945}, DOI={10.1002/jcc.20945}, number={11}, journal={Journal of Computational Chemistry}, publisher={Wiley}, author={Jo, Sunhwan and Kim, Taehoon and Iyer, Vidyashankara G. and Im, Wonpil}, year={2008}, month=jun, pages={1859–1865} }

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