The DOI matches its Crossref record; 39 of the 39 references it cites were found in a registry or an index.
TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories
Abstract
We present TRAVIS ("TRajectory Analyzer and VISualizer"), a free program package for analyzing and visualizing Monte Carlo and molecular dynamics trajectories. The aim of TRAVIS is to collect as many analyses as possible in one program, creating a powerful tool and making it unnecessary to use many different programs for evaluating simulations. This should greatly rationalize and simplify the workflow of analyzing trajectories. TRAVIS is written in C++, open-source freeware and licensed under the terms of the GNU General Public License (GPLv3). It is easy to install (platform independent, no external libraries) and easy to use. In this article, we present some of the algorithms that are implemented in TRAVIS - many of them widely known for a long time, but some of them also to appear in literature for the first time. All shown analyses only require a standard MD trajectory as input data.
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Cited by
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations
Doherty, B., Zhong, X., Gathiaka, S., Li, B., & Acevedo, O. (2017) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.7b00520 · Cited by 594
Brugger, J., Liu, W., Etschmann, B., Mei, Y., Sherman, D. M., & Testemale, D. (2016) · Chemical Geology · doi:10.1016/j.chemgeo.2016.10.021 · Cited by 308
Nanoplastics can change the secondary structure of proteins
Hollóczki, O., & Gehrke, S. (2019) · Scientific Reports · doi:10.1038/s41598-019-52495-w · Cited by 149
Can Nanoplastics Alter Cell Membranes?
Hollóczki, O., & Gehrke, S. (2020) · ChemPhysChem · doi:10.1002/cphc.201900481 · Cited by 144
Paul, N., Harish, G., & Banerjee, T. (2023) · ACS Sustainable Chemistry & Engineering · doi:10.1021/acssuschemeng.2c06137 · Cited by 51
Lenk, T., Rabet, S., Sprick, M., Raabe, G., & Schröder, U. (2023) · ChemPhysChem · doi:10.1002/cphc.202200614 · Cited by 26
Xu, D., Wang, S., Zhang, T., Peng, L., Bing, X., Zhang, L., Ma, Y., Gao, J., & Wang, Y. (2022) · Chemical Engineering Research and Design · doi:10.1016/j.cherd.2022.01.004 · Cited by 23
Metadata
- Authors
- Brehm, M., & Kirchner, B.
- Venue
- Journal of Chemical Information and Modeling
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-07-27
- Volume
- 51
- Issue
- 8
- Pages
- 2007-2023
- ISSN
- 1549-9596 (ISSN-L)
- 1549-960X
- OpenAlex
- W2080116234
- Cited by
- 1,375
- References
- 39
- FWCI
- 10.49
- Type
- journal article
- Language
- en
- Open access
- closed
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