Module routines
source code
Routines for PDB2PQR
This module contains the protein object used in PDB2PQR and methods
used to correct, analyze, and optimize that protein.
----------------------------
PDB2PQR -- An automated pipeline for the setup, execution, and
analysis of Poisson-Boltzmann electrostatics calculations
Nathan A. Baker (baker@biochem.wustl.edu) Todd Dolinsky
(todd@ccb.wustl.edu) Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology Washington University in St. Louis
Jens Nielsen (Jens.Nielsen@ucd.ie) University College Dublin
Additional contributing authors listed in documentation and supporting
package licenses.
Copyright (c) 2003-2007. Washington University in St. Louis. All
Rights Reserved.
This file is part of PDB2PQR.
PDB2PQR is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
PDB2PQR is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for
more details.
You should have received a copy of the GNU General Public License
along with PDB2PQR; if not, write to the Free Software Foundation, Inc.,
59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
----------------------------
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Routines
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Cells
The cells object provides a better way to search for nearby atoms.
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__author__
None
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- Value:
'Jens Erik Nielsen, Todd Dolinsky'
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BONDED_SS_LIMIT
None
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- Value:
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BACKBONE
None
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- Value:
['N', 'CA', 'C', 'O', 'O2', 'HA', 'HN', 'H', 'tN']
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