Statements (41)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:software
|
| gptkbp:availableOn |
gptkb:GitHub
gptkb:PyPI |
| gptkbp:citation |
Michaud-Agrawal, N., et al. J. Comput. Chem. 2011, 32, 2319–2327.
Gowers, R. J., et al. Proceedings of the 15th Python in Science Conference, 2016. |
| gptkbp:documentation |
https://www.mdanalysis.org/docs/
|
| gptkbp:firstReleased |
2011
|
| gptkbp:hasFeature |
plugin support
integration with NumPy integration with SciPy coordinate transformations integration with pandas contact analysis distance calculations RMSD calculations atom selection hydrogen bond analysis integration with matplotlib parallel analysis secondary structure analysis trajectory conversion |
| gptkbp:hasTutorial |
https://www.mdanalysis.org/pages/learn/
|
| gptkbp:hasWebsite |
https://www.mdanalysis.org/
|
| https://www.w3.org/2000/01/rdf-schema#label |
MDAnalysis
|
| gptkbp:license |
gptkb:GNU_General_Public_License_v2.0
|
| gptkbp:logo |
https://www.mdanalysis.org/images/logo.png
|
| gptkbp:maintainedBy |
MDAnalysis Community
|
| gptkbp:openSource |
true
|
| gptkbp:supports |
gptkb:CHARMM
gptkb:NAMD gptkb:GROMACS gptkb:LAMMPS gptkb:AMBER trajectory analysis structure analysis various file formats DL_POLY |
| gptkbp:usedFor |
molecular dynamics analysis
|
| gptkbp:writtenBy |
gptkb:Python
|
| gptkbp:bfsParent |
gptkb:NumFOCUS
|
| gptkbp:bfsLayer |
7
|