pdb2pqr 1.7-2 (amd64 binary) in ubuntu oneiric
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:
- 1.7-2
- Status:
- Obsolete
- Component:
- universe
- Priority:
- Optional
Downloadable files
amd64 build of pdb2pqr 1.7-2 in ubuntu oneiric RELEASE produced
these files:
- pdb2pqr_1.7-2_amd64.deb (375.1 KiB)
Package relationships
- Suggests:
- Enhances: