pdb2pqr 3.5.2+dfsg-3 source package in Ubuntu
Changelog
pdb2pqr (3.5.2+dfsg-3) unstable; urgency=medium
* Standards-Version: 4.6.2 (routine-update)
* cme fix dpkg-control
* Drop version restriction from docutils
Closes: #1030444
-- Andreas Tille <email address hidden> Sun, 05 Feb 2023 09:02:21 +0100
Upload details
- Uploaded by:
- Debian Med
- Uploaded to:
- Sid
- Original maintainer:
- Debian Med
- Architectures:
- all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Lunar | release | universe | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| pdb2pqr_3.5.2+dfsg-3.dsc | 2.4 KiB | 4895477420299cf7df205008c7715d878dfd5db512eaba90a97982795980efab |
| pdb2pqr_3.5.2+dfsg.orig.tar.xz | 7.2 MiB | 93e762efa915c86cabdb23756a4ebf7f30b9e10f92cdcd7909bd3066d6a128c0 |
| pdb2pqr_3.5.2+dfsg-3.debian.tar.xz | 9.6 KiB | 795683c209541843d15ba700b5e3d839732291737e951ab9473896424b3779f4 |
Available diffs
- diff from 3.5.2+dfsg-2 to 3.5.2+dfsg-3 (1.2 KiB)
No changes file available.
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
- pdb2pqr-doc: example files accompanying pdb2pqr
Files containing protein structures tend to become large very quickly and
most users of this package will refrain from their installation, particularly
on larger clusters.
- python3-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
