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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.
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Package version:1.8-1
Architecture:all
Distribution:Debian
Filename:pdb2pqr-doc_1.8-1_all.deb

/usr/share/doc/pdb2pqr-doc/examples/1a1p/README

This directory contains a basic example of how to use PDB2PQR.

This directory contains the following files:

    1a1p.pdb - The first model of 1A1P from the PDB.
    example.dat - A user-defined forcefield for the missing Amino group.
    README -  This file

1.  Make sure you configure PDB2PQR/compile PropKa before continuing.  This 
    can generally be done by 

    ./configure; make

    from
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/usr/share/doc/pdb2pqr-doc/examples/ligands/README

These are ligands in MOL2 format for various PDB files.  The file naming scheme
is LIG_<PDB ID>.mol2, where <PDB ID> is the ID for the relevant PDB entry.

Files provided by Paul Czodrowski <Paul.Czodrowski@staff.uni-marburg.de>.

/usr/share/doc/pdb2pqr-doc/changelog.Debian.gz

pdb2pqr (1.8-1) unstable; urgency=low

  [ Andreas Tille ]
  * debian/upstream: Add publication information

  [ Manuel Prinz ]
  * New upstream version. Updated debian/copyright.
  * Updated Standards-Version to 3.9.3. No changes needed.
  * Changed Maintainer to Debian Med team.
  * Pass -fPIC to CXXFLAGS. Thanks to Konstantinos Margaritis for the patch!
    Closes: 654240. LP: 935357.
  * Updat
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/usr/share/doc/pdb2pqr-doc/changelog.gz

Please see http://www.poissonboltzmann.org/pdb2pqr/release-history

# These are notes for the curren
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/usr/share/doc/pdb2pqr-doc/copyright

This package was debianized by Steffen Moeller <moeller@debian.org> on Thu, 20 Dec 2007 16:27:31 +01
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