toutes les options
bookworm  ] [  trixie  ] [  sid  ]
[ Paquet source : mdanalysis  ]

Paquet : python-mdanalysis-doc (2.7.0-5)

Liens pour python-mdanalysis-doc

Screenshot

Ressources Debian :

Télécharger le paquet source mdanalysis :

Responsables :

Ressources externes :

Paquets similaires :

analyse molecular dynamics files and trajectories ( documentation)

MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale, spanning use cases from interactions of drugs with proteins to novel materials. It is widely used in the scientific community and is written by scientists for scientists.

MDAnalysis allows one to read particle-based trajectories (including individual coordinate frames such as biomolecules in the PDB format) and access the atomic coordinates through NumPy arrays. This provides a flexible and relatively fast framework for complex analysis tasks. In addition, powerful atom selection commands are implemented. Trajectories can also be manipulated (for instance, fit to a reference structure) and written out.

It works with a wide range of popular simulation packages including Gromacs, Amber, NAMD, CHARMM, DL_Poly, HooMD, LAMMPS and many others — see the lists of supported trajectory formats and topology formats. MDAnalysis also includes widely used analysis algorithms in the MDAnalysis.analysis module.

The MDAnalysis project uses an open governance model and is fiscally sponsored by NumFOCUS.

This is the documentation package for MDAnalysis.

Autres paquets associés à python-mdanalysis-doc

  • dépendances
  • recommandations
  • suggestions
  • enhances

Télécharger python-mdanalysis-doc

Télécharger pour toutes les architectures proposées
Architecture Taille du paquet Espace occupé une fois installé Fichiers
all 2 310,8 ko22 257,0 ko [liste des fichiers]