TmoleX—A graphical user interface for TURBOMOLE
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Open Access
- 31 May 2010
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 31 (16), 2967-2970
- https://doi.org/10.1002/jcc.21576
Abstract
We herein present the graphical user interface (GUI) TmoleX for the quantum chemical program package TURBOMOLE. TmoleX allows users to execute the complete workflow of a quantum chemical investigation from the initial building of a structure to the visualization of the results in a user friendly graphical front end. The purpose of TmoleX is to make TURBOMOLE easy to use and to provide a high degree of flexibility. Hence, it should be a valuable tool for most users from beginners to experts. The program is developed in Java and runs on Linux, Windows, and Mac platforms. It can be used to run calculations on local desktops as well as on remote computers. © 2010 Wiley Periodicals, Inc. J Comput Chem 2010Keywords
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