TRAVIS – Trajectory Analyzer and Visualizer
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TRAVIS, which stands for Trajectory Analyzer and Visualizer, is a software tool which can compute a plethora of functions and histograms from molecular dynamics and Monte Carlo simulation trajectories. I am the main developer of the TRAVIS program package. Please visit the TRAVIS website: www.travis-analyzer.de In April 2020, our new open access article on TRAVIS has been published. It describes many of the new features and algorithms which have been added to TRAVIS within the last nine years. Please have a look: M. Brehm, M. Thomas, S. Gehrke, B. Kirchner: Please see also our new tutorial on computing vibrational spectra with CP2k and TRAVIS (Oct 2018). |
Want to join the TRAVIS team? There are two PhD positions available in the group of Prof. Martin Brehm at the University of Paderborn (Germany). Please see the official announcements in German and English language. You can apply until 15.03.2024.
— Work Citing TRAVIS —
Only showing results in journal “J. Chem. Inf. Model.”. Show all citations.
Go to Author List, go to Journal List.
Show only articles where TRAVIS was used to compute...
... any result (766)
... RDFs (g(r), Radial Distribution Functions) (358)
... Number Integrals / Coordination Numbers (110)
... SDFs (Spatial Distribution Functions) (374)
... CDFs (Combined Distribution Functions) (210)
... 3D CDFs (3)
... Structure Factors / van Howe Correlations (59)
... Density Profiles (30)
... Aggregate Lifetimes (H Bonds, ...), Reactive Flux (86)
... MSDs (Mean Square Displacements), Diffusion Coefficients (78)
... Vector Reorientation Dynamics / Rotational Relaxation Times (17)
... Voronoi Statistics / Surface Coverage / Visualization (20)
... Voronoi-based Domain Analysis (39)
... Power Spectra / Vibrational Density of States (67)
... Vibrational Spectra (IR, Raman, VCD, ROA) (79)
... Bulk Phase Normal Modes (8)
... Order Parameters (3)
... Sankey Diagrams / Hydrogen Bond Topology (8)
... Connection Matrix (8)
10 citations match the query. Show continuous list view.
— 2023 —
| 10 | K. P. Ghanta, S. Mondal, T. Hajari, S. Bandyopadhyay: "Impact of an Ionic Liquid on Amino Acid Side Chains: A Perspective from Molecular Simulation Studies" J. Chem. Inf. Model. 2023, 63 (3), 959–972. (DOI 10.1021/acs.jcim.2c01310 ) ⭳ Bib Uses TRAVIS for RDF, SDF, CDF. |
— 2022 —
| 9 | T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner: "Cluster Analysis in Liquids: A Novel Tool in Travis" J. Chem. Inf. Model. 2022, 62 (22), 5634–5644. (DOI 10.1021/acs.jcim.2c01244 ) ⭳ Bib Uses TRAVIS for RDF. |
— 2021 —
| 8 | R. M. de Souza, M. Karttunen, M. C. C. Ribeiro: "Fine-Tuning the Polarizable Cl&Pol Force Field for the Deep Eutectic Solvent Ethaline" J. Chem. Inf. Model. 2021, 61 (12), 5938–5947. (DOI 10.1021/acs.jcim.1c01181 ) ⭳ Bib Uses TRAVIS for SFac. |
— 2020 —
| 7 | K. G. Chattaraj, S. Paul: "Investigation on the Mechanisms of Synchronous Interaction of K3Cit with Melamine and Uric Acid That Avoids the Formation of Large Clusters" J. Chem. Inf. Model. 2020, 60 (10), 4827–4844. (DOI 10.1021/acs.jcim.0c00384 ) ⭳ Bib Uses TRAVIS for SDF. |
| 6 | R. Paul, S. Paul: "Computational Study of Encapsulation of Polyaromatic Hydrocarbons by Endo-Functionalized Receptors in Nonpolar Medium" J. Chem. Inf. Model. 2020, 60 (1), 212–225. (DOI 10.1021/acs.jcim.9b00799 ) ⭳ Bib Uses TRAVIS for SDF. |
| 5 | J. G. Neumann, H. Stassen: "Anion Effect on Gas Absorption in Imidazolium-Based Ionic Liquids" J. Chem. Inf. Model. 2020, 60 (2), 661–666. (DOI 10.1021/acs.jcim.9b00885 ) ⭳ Bib Uses TRAVIS for SDF. |
— 2019 —
| 4 | M. T. Humbert, Y. Zhang, E. J. Maginn: "PyLAT: Python LAMMPS Analysis Tools" J. Chem. Inf. Model. 2019, 59 (4), 1301–1305. (DOI 10.1021/acs.jcim.9b00066 ) ⭳ Bib |
— 2018 —
| 3 | K. G. Chattaraj, S. Paul: "Understanding of Structure and Thermodynamics of Melamine Association in Aqueous Solution from a Unified Theoretical and Experimental Approach" J. Chem. Inf. Model. 2018, 58 (8), 1610–1624. (DOI 10.1021/acs.jcim.8b00231 ) ⭳ Bib Uses TRAVIS for Aggr. |
| 2 | S. Paul, S. Paul: "How Does Aqueous Choline-O-Sulfate Solution Nullify the Action of Urea in Protein Denaturation?" J. Chem. Inf. Model. 2018, 58 (9), 1858–1869. (DOI 10.1021/acs.jcim.8b00395 ) ⭳ Bib |
| 1 | M. Brehm, M. Thomas: "An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions and Volumetric Data" J. Chem. Inf. Model. 2018, 58 (10), 2092–2107. (DOI 10.1021/acs.jcim.8b00501 ) ⭳ Bib Uses TRAVIS. |
— Author List —
Only showing results in journal “J. Chem. Inf. Model.”. Show all citations.
Go to Article List, go to Journal List.
22 different authors contributed to the 10 articles shown above.
| Citations ↓ A–Z | Author Name ↓ A–Z | |
|---|---|---|
| 1 | (show) | Alizadeh, V. |
| 1 | (show) | Bandyopadhyay, S. |
| 1 | (show) | Blasius, J. |
| 2 | (show) | Brehm, M. |
| 2 | (show) | Chattaraj, K. G. |
| 1 | (show) | Chaumont, A. |
| 1 | (show) | de Souza, R. M. |
| 1 | (show) | Frömbgen, T. |
| 1 | (show) | Hajari, T. |
| 1 | (show) | Humbert, M. T. |
| 1 | (show) | Ghanta, K. P. |
| 1 | (show) | Karttunen, M. |
| 1 | (show) | Kirchner, B. |
| 1 | (show) | Maginn, E. J. |
| 1 | (show) | Mondal, S. |
| 1 | (show) | Neumann, J. G. |
| 1 | (show) | Paul, R. |
| 5 | (show) | Paul, S. |
| 1 | (show) | Ribeiro, M. C. C. |
| 1 | (show) | Stassen, H. |
| 1 | (show) | Thomas, M. |
| 1 | (show) | Zhang, Y. |
— Journal List —
Only showing results in journal “J. Chem. Inf. Model.”. Show all citations.
Go to Article List, go to Author List.
The 10 articles shown above were published in 1 different journals.
| Citations | Journal Name | |
|---|---|---|
| 10 | (show) | J. Chem. Inf. Model. |
