Paketti: pdb2pqr (2.1.1+dfsg-7+deb11u1)
Links for pdb2pqr
Debian-palvelut:
Imuroi lähdekoodipaketti pdb2pqr:
- [pdb2pqr_2.1.1+dfsg-7+deb11u1.dsc]
- [pdb2pqr_2.1.1+dfsg.orig.tar.xz]
- [pdb2pqr_2.1.1+dfsg-7+deb11u1.debian.tar.xz]
Ylläpitäjät:
- Debian Med Packaging Team (Laadunvalvontasivu, Mail Archive)
- Steffen Moeller (Laadunvalvontasivu)
- Manuel Prinz (Laadunvalvontasivu)
- Andreas Tille (Laadunvalvontasivu)
External Resources:
- Kotisivu [www.cgl.ucsf.edu]
Samankaltaisia paketteja:
Preparation of protein structures for electrostatics calculations
PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations. It thus provides a platform-independent utility for converting protein files in PDB format to PQR format. These tasks include:
* Adding a limited number of missing heavy atoms to biomolecular structures * Determining side-chain pKas * Placing missing hydrogens * Optimizing the protein for favorable hydrogen bonding * Assigning charge and radius parameters from a variety of force fields
This package also includes PropKa, a tool to modify the protonation state of protein structures in the Protein Data Bank (PDB) format to match a given pKa value. It can also be used to refine NMR structures, which often yield inaccurate pKa values for some residues.
Muut pakettiin pdb2pqr liittyvät paketit
|
|
|
|
-
- dep: libc6 (>= 2.29)
- GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
-
- dep: libgcc-s1 (>= 3.0)
- GCC:n apukirjasto
-
- dep: libstdc++6 (>= 5.2)
- GNU standardi C++ -kirjasto, versio 3
-
- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.10)
- dep: python3 (>= 3.9~)
-
- dep: python3-networkx
- tool to create, manipulate and study complex networks (Python3)
-
- dep: python3-numpy
- Fast array facility to the Python 3 language
-
- sug: apbs
- Adaptive Poisson Boltzmann Solver
-
- enh: autodocktools
- Paketti ei saatavilla
Imuroi pdb2pqr
Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
---|---|---|---|
i386 | 389.2 kt | 2,878.0 kt | [tiedostoluettelo] |