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Everything licensed and supported by KAUST IT, in one place. Whether you're looking for a research or scientific application, a productivity tool, or a program used by your team or department, if IT supports it at KAUST, you'll find it here.

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chemshell

ChemShell

ChemShell is a computational chemistry environment, based on the Tcl interpreter. While it supports standard quantum chemical or force field calculations, its main strength lies in hybrid QM/MM calculations. The concept is to leave the time-consuming energy evaluation to external specialised codes, while ChemShell takes over the communication and data handling.
 
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Linux installation instructions

Please contact IT Linux Support to install this application.