pdb2pqr (version 1.1.0, 28 February 2006) | index /home/todd/release/test/pdb2pqr.py |
Driver for PDB2PQR
This module takes a PDB file as input and performs optimizations
before yielding a new PDB-style file as output.
Ported to Python by Todd Dolinsky (todd@ccb.wustl.edu)
Washington University in St. Louis
Parsing utilities provided by Nathan A. Baker (baker@biochem.wustl.edu)
Washington University in St. Louis
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Data | ||
AAPATH = 'dat/AA.xml' ANGLE_CUTOFF = 20.0 BACKBONE = ['N', 'CA', 'C', 'O', 'O2', 'HA', 'HN', 'H', 'tN'] BONDED_SS_LIMIT = 2.5 BUMP_DIST = 2.0 BUMP_HDIST = 1.5 CELL_SIZE = 2 DIHEDRAL = 57.2958 DIST_CUTOFF = 3.2999999999999998 HDEBUG = 0 HYDPATH = 'dat/HYDROGENS.xml' LIMIT = 500.0 LOADPATH = '/proc/loadavg' LOCALPATH = '/export/home/www/html/test/' LOGPATH = '/export/home/www/html/test//tmp//usage.txt' NAPATH = 'dat/NA.xml' PATCHPATH = 'dat/PATCHES.xml' PEPTIDE_DIST = 1.7 REFRESHTIME = 10 REPAIR_LIMIT = 10 SMALL = 9.9999999999999995e-08 STYLESHEET = 'http://agave.wustl.edu/css/baker.css' TMPDIR = 'tmp/' WEBNAME = 'server.html' WEBSITE = 'http://agave.wustl.edu/test/' __author__ = 'Todd Dolinsky, Nathan Baker' __date__ = '28 February 2006' __version__ = '1.1.0' |
Author | ||
Todd Dolinsky, Nathan Baker |