pdb2pqr 2.1.1+dfsg-7build1 source package in Ubuntu
Changelog
pdb2pqr (2.1.1+dfsg-7build1) hirsute; urgency=medium * No-change rebuild to build with python3.9 as default. -- Matthias Klose <email address hidden> Thu, 19 Nov 2020 21:46:31 +0100
Upload details
- Uploaded by:
- Matthias Klose
- Uploaded to:
- Hirsute
- Original maintainer:
- Debian Med
- Architectures:
- any all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| pdb2pqr_2.1.1+dfsg.orig.tar.xz | 5.0 MiB | aef49fcf96c8990275d956c02003f4b8398c665a0defb06c8655905bbf44c43b |
| pdb2pqr_2.1.1+dfsg-7build1.debian.tar.xz | 66.1 KiB | ade62000f7b25bed39464d4156d6d0d8b4455a8bf2c910c2c94dd287920d54ae |
| pdb2pqr_2.1.1+dfsg-7build1.dsc | 2.3 KiB | 74b5ae756510329d570171dadbcc880bb3564b6e54ef41edebf42f0996673542 |
Available diffs
Binary packages built by this source
- pdb2pqr: 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.
- pdb2pqr-dbgsym: No summary available for pdb2pqr-dbgsym in ubuntu hirsute.
No description available for pdb2pqr-dbgsym in ubuntu hirsute.
- pdb2pqr-doc: No summary available for pdb2pqr-doc in ubuntu impish.
No description available for pdb2pqr-doc in ubuntu impish.
