Binary package “python3-mdanalysis” in ubuntu lunar
analyse molecular dynamics files and trajectories
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.
.
The MDAnalysis project uses an open governance model and is fiscally
sponsored by NumFOCUS.
.
This package installs the library for Python 3.
Source package
Published versions
- python3-mdanalysis 2.0.0+dfsg1-4build1 in amd64 (Release)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in amd64 (Proposed)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in amd64 (Release)
- python3-mdanalysis 2.0.0+dfsg1-4build1 in arm64 (Release)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in arm64 (Proposed)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in arm64 (Release)
- python3-mdanalysis 2.0.0+dfsg1-4build1 in armhf (Release)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in armhf (Proposed)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in armhf (Release)
- python3-mdanalysis 2.0.0+dfsg1-4build1 in ppc64el (Release)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in ppc64el (Proposed)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in ppc64el (Release)
- python3-mdanalysis 2.0.0+dfsg1-4build1 in riscv64 (Release)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in riscv64 (Proposed)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in riscv64 (Release)
- python3-mdanalysis 2.0.0+dfsg1-4build1 in s390x (Release)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in s390x (Proposed)
- python3-mdanalysis 2.4.2+dfsg1-1build1 in s390x (Release)