python3-pdb2pqr 3.5.2+dfsg-3 (i386 binary) in ubuntu lunar
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-
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
Details
- Package version:
- 3.5.2+dfsg-3
- Status:
- Published
- Component:
- universe
- Priority:
- Optional
Downloadable files
amd64 build of pdb2pqr 3.5.2+dfsg-3 in ubuntu lunar PROPOSED produced
these files:
- python3-pdb2pqr_3.5.2+dfsg-3_all.deb (140.8 KiB)