pdb2pqr_1.7-2_amd64.deb


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Description

pdb2pqr - Preparation of protein structures for electrostatics calculations

Property Value
Distribution Ubuntu 12.04 LTS (Precise Pangolin)
Repository Ubuntu Universe amd64
Package name pdb2pqr
Package version 1.7
Package release 2
Package architecture amd64
Package type deb
Installed size 2.11 KB
Download size 375.11 KB
Official Mirror archive.ubuntu.com
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

Alternatives

Package Version Architecture Repository
pdb2pqr_1.7-2_i386.deb 1.7 i386 Ubuntu Universe
pdb2pqr - - -

Requires

Name Value
libc6 >= 2.4
libgcc1 >= 1:4.1.1
libgfortran3 >= 4.6
libstdc++6 >= 4.2.1
python >= 2.7
python << 2.8
python-numpy -
python-support >= 0.90.0

Download

Type URL
Binary Package pdb2pqr_1.7-2_amd64.deb
Source Package pdb2pqr

Install Howto

  1. Update the package index:
    # sudo apt-get update
  2. Install pdb2pqr deb package:
    # sudo apt-get install pdb2pqr

Files

Path
/usr/bin/pdb2pqr
/usr/bin/psize
/usr/lib/pdb2pqr/pdb2pka/_pMC_mult.so
/usr/lib/pdb2pqr/pdb2pka/substruct/Algorithms.so
/usr/lib/pdb2pqr/propka/_propkalib.so
/usr/share/doc/pdb2pqr/AUTHORS
/usr/share/doc/pdb2pqr/ChangeLog
/usr/share/doc/pdb2pqr/NEWS.gz
/usr/share/doc/pdb2pqr/README
/usr/share/doc/pdb2pqr/README.Debian
/usr/share/doc/pdb2pqr/changelog.Debian.gz
/usr/share/doc/pdb2pqr/copyright
/usr/share/man/man1/pdb2pqr.1.gz
/usr/share/man/man1/psize.1.gz
/usr/share/pdb2pqr/main.py
/usr/share/pdb2pqr/main_cgi.py
/usr/share/pdb2pqr/pdb2pqr.py
/usr/share/pdb2pqr/dat/AA.xml
/usr/share/pdb2pqr/dat/AMBER.DAT
/usr/share/pdb2pqr/dat/AMBER.names
/usr/share/pdb2pqr/dat/CHARMM.DAT
/usr/share/pdb2pqr/dat/CHARMM.names
/usr/share/pdb2pqr/dat/HYDROGENS.xml
/usr/share/pdb2pqr/dat/NA.xml
/usr/share/pdb2pqr/dat/PARSE.DAT
/usr/share/pdb2pqr/dat/PARSE.names
/usr/share/pdb2pqr/dat/PATCHES.xml
/usr/share/pdb2pqr/dat/PEOEPB.DAT
/usr/share/pdb2pqr/dat/PEOEPB.names
/usr/share/pdb2pqr/dat/SWANSON.DAT
/usr/share/pdb2pqr/dat/SWANSON.names
/usr/share/pdb2pqr/dat/TOPOLOGY.xml
/usr/share/pdb2pqr/dat/TYL06.DAT
/usr/share/pdb2pqr/dat/TYL06.names
/usr/share/pdb2pqr/extensions/README
/usr/share/pdb2pqr/extensions/__init__.py
/usr/share/pdb2pqr/extensions/chi.py
/usr/share/pdb2pqr/extensions/contact.py
/usr/share/pdb2pqr/extensions/hbond.py
/usr/share/pdb2pqr/extensions/hbondwhatif.py
/usr/share/pdb2pqr/extensions/phi.py
/usr/share/pdb2pqr/extensions/psi.py
/usr/share/pdb2pqr/extensions/rama.py
/usr/share/pdb2pqr/extensions/salt.py
/usr/share/pdb2pqr/extensions/template
/usr/share/pdb2pqr/pdb2pka/NEWligand_topology.py
/usr/share/pdb2pqr/pdb2pka/__init__.py
/usr/share/pdb2pqr/pdb2pka/_pMC_mult.so
/usr/share/pdb2pqr/pdb2pka/apbs.py
/usr/share/pdb2pqr/pdb2pka/charge_mon.py
/usr/share/pdb2pqr/pdb2pka/example.py
/usr/share/pdb2pqr/pdb2pka/inputgen_pKa.py
/usr/share/pdb2pqr/pdb2pka/ligand_topology.py
/usr/share/pdb2pqr/pdb2pka/pKaIO_compat.py
/usr/share/pdb2pqr/pdb2pka/pKa_base.py
/usr/share/pdb2pqr/pdb2pka/pKa_utility_functions_compat.py
/usr/share/pdb2pqr/pdb2pka/pMC_mult.py
/usr/share/pdb2pqr/pdb2pka/pka.py
/usr/share/pdb2pqr/pdb2pka/pka_help.py
/usr/share/pdb2pqr/pdb2pka/pka_routines.py
/usr/share/pdb2pqr/pdb2pka/ligandclean/__init__.py
/usr/share/pdb2pqr/pdb2pka/ligandclean/ligff.py
/usr/share/pdb2pqr/pdb2pka/ligandclean/lookuptable.py
/usr/share/pdb2pqr/pdb2pka/ligandclean/peoe_PDB2PQR.py
/usr/share/pdb2pqr/pdb2pka/ligandclean/templates.py
/usr/share/pdb2pqr/pdb2pka/ligandclean/trial_templates.py
/usr/share/pdb2pqr/pdb2pka/substruct/Algorithms.so
/usr/share/pdb2pqr/pdb2pka/substruct/__init__.py
/usr/share/pdb2pqr/propka/__init__.py
/usr/share/pdb2pqr/propka/_propkalib.so
/usr/share/pdb2pqr/propka/propkalib.py
/usr/share/pdb2pqr/src/__init__.py
/usr/share/pdb2pqr/src/aa.py
/usr/share/pdb2pqr/src/aconf.py
/usr/share/pdb2pqr/src/aconf.py.in
/usr/share/pdb2pqr/src/definitions.py
/usr/share/pdb2pqr/src/forcefield.py
/usr/share/pdb2pqr/src/hydrogens.py
/usr/share/pdb2pqr/src/inputgen.py
/usr/share/pdb2pqr/src/na.py
/usr/share/pdb2pqr/src/pdb.py
/usr/share/pdb2pqr/src/protein.py
/usr/share/pdb2pqr/src/psize.py
/usr/share/pdb2pqr/src/quatfit.py
/usr/share/pdb2pqr/src/routines.py
/usr/share/pdb2pqr/src/server.py
/usr/share/pdb2pqr/src/server.py.in
/usr/share/pdb2pqr/src/structures.py
/usr/share/pdb2pqr/src/topology.py
/usr/share/pdb2pqr/src/utilities.py
/usr/share/python-support/pdb2pqr.private

See Also

Package Description
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pdfcube_0.0.3+svn68-0ubuntu1_amd64.deb PDF document viewer with 3D effects
pdfedit_0.4.5-2_amd64.deb Editor for manipulating PDF documents
pdfgrep_1.2-1build1_amd64.deb search in pdf files for strings matching a regular expression
pdfjam_2.05-2_all.deb collection of PDF document handling utilities
pdfminer-data_20110515+dfsg-1_all.deb PDF parser and analyser (encoding data)
pdfmod_0.9.1-5ubuntu1_all.deb simple tool for modifying PDF documents
pdfposter_0.4.4-2_all.deb scale and tile PDF images/pages to print on multiple pages
pdfresurrect_0.10-2_amd64.deb tool for extracting/scrubbing versioning data from PDF documents
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