Paketti: python3-mdtraj (1.9.5-1)
Links for python3-mdtraj
Debian-palvelut:
Imuroi lähdekoodipaketti mdtraj:
Ylläpitäjät:
External Resources:
- Kotisivu [mdtraj.org]
Samankaltaisia paketteja:
Read, write and analyze MD trajectories in Python
Read, write and analyze MD trajectories with only a few lines of Python code.
MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories. Features include:
* Wide MD format support, including pdb, xtc, trr, dcd, binpos, netcdf, mdcrd, prmtop, and more. * Extremely fast RMSD calculations (4x the speed of the original Theobald QCP). * Extensive analysis functions including those that compute bonds, angles, dihedrals, hydrogen bonds, secondary structure, and NMR observables. * Lightweight, Pythonic API.
MDTraj includes a command-line application, mdconvert-mdtraj, for converting trajectories between formats.
This package installs the library for Python 3, together with the command line utilities mdconvert-mdtraj and mdinspect.
Muut pakettiin python3-mdtraj liittyvät paketit
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- dep: libc6 (>= 2.29)
- GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
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- dep: libgcc-s1 (>= 7)
- GCC:n apukirjasto
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: libstdc++6 (>= 5.2)
- GNU standardi C++ -kirjasto, versio 3
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.10)
- dep: python3 (>= 3.9~)
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- dep: python3-astor
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- dep: python3-distutils
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- dep: python3-networkx
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- dep: python3-numpy (>= 1.6~)
- Fast array facility to the Python 3 language
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- dep: python3-pandas
- data structures for "relational" or "labeled" data
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- dep: python3-pyparsing
- alternative to creating and executing simple grammars - Python 3.x
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- dep: python3-scipy
- scientific tools for Python 3
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- dep: python3-tables
- hierarchical database for Python3 based on HDF5
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- dep: zlib1g (>= 1:1.2.0)
- pakkauskirjaston ajonaikaistiedostot
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- sug: python-mdtraj-doc
- Read, write and analyze MD trajectories in Python (documentation)
Imuroi python3-mdtraj
Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
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i386 | 1,018.3 kt | 4,606.0 kt | [tiedostoluettelo] |