5. Coordinates modules¶
The coordinates module contains the classes to read and write
trajectories. Typically, MDAnalysis recognizes Table of supported coordinate formats by the file extension and hence most users probably do not need to
concern themselves with classes and functions described here. However,
if MDAnalysis fails to recognize a coordinate file then the user can
provide the format in the keyword argument format to
Universe
to force the format.
Coordinate formats
- 5.1. Trajectory Readers and Writers —
MDAnalysis.coordinates
- 5.2. CRD structure files in MDAnalysis —
MDAnalysis.coordinates.CRD
- 5.3. DCD trajectory I/O —
MDAnalysis.coordinates.DCD
- 5.4. DL_Poly format reader
MDAnalysis.coordinates.DLPoly
- 5.5. DESRES file format —
MDAnalysis.coordinates.DMS
- 5.6. GAMESS trajectory reader —
MDAnalysis.coordinates.GMS
- 5.7. GRO file format —
MDAnalysis.coordinates.GRO
- 5.8. INPCRD structure files in MDAnalysis —
MDAnalysis.coordinates.INPCRD
- 5.9. LAMMPS DCD trajectory I/O —
MDAnalysis.coordinates.LAMMPS
- 5.10. MOL2 file format —
MDAnalysis.coordinates.MOL2
- 5.11. PDB structure files in MDAnalysis —
MDAnalysis.coordinates.PDB
- 5.12. PDBQT structure files in MDAnalysis —
MDAnalysis.coordinates.PDBQT
- 5.13. PQR file format —
MDAnalysis.coordinates.PQR
- 5.14. AMBER trajectories —
MDAnalysis.coordinates.TRJ
- 5.15. Gromacs TRR file IO —
MDAnalysis.coordinates.TRR
- 5.16. Gromacs XTC file IO —
MDAnalysis.coordinates.XTC
- 5.17. XYZ trajectory reader —
MDAnalysis.coordinates.XYZ
- 5.18. TRZ trajectory I/O —
MDAnalysis.coordinates.TRZ
Coordinate core modules
The remaining pages are primarily of interest to developers. Programmers and anyone trying to implement new functionality should first read the Trajectory API.