Package: reduce
Version: 3.14.080821
Revision: 1 
Maintainer: W. G. Scott <wgscott@users.sourceforge.net> 
Description: Adds hydrogens to a pdb file
License: BSD
GCC:4.0
HomePage: http://kinemage.biochem.duke.edu/software/reduce.php
Source: http://kinemage.biochem.duke.edu/downloads/software/%n31/%n.%v.src.tgz
Source-Checksum: SHA256(0c32f3e9f818b976e0996f088639a194cde63f227eff32c35e14526ec05c930a)
Source2: http://kinemage.biochem.duke.edu/downloads/software/%n31/%n_wwPDB_het_dict.txt.zip
Source2-Checksum: SHA256(71827a7e78269ead3c0e1270534302c0a4d2926cfa4fe26fc79bc784871bbc62)
Source3: http://kinemage.biochem.duke.edu/downloads/software/%n31/%n_het_dict.txt.zip
Source3-Checksum: SHA256(46cb3ca6c3b6716c0e19fe1de73068a7a666d206957d08b23e6b797e6e074b22)
DescDetail: << 
Reduce is a program for adding hydrogens to a Protein DataBank (PDB) molecular
structure file. Hydrogens are added in standardized geometry with optimization
of the orientations of OH, SH, NH3+, Met methyls, Asn and Gln sidechain
amides, and His rings. Both proteins and nucleic acids can be processed. HET
groups can also be processed as long as the atom connectivity is provided. A
slightly modified version of the connectivity table published by the PDB is
available below. Note that the HET dictionary is available in two "flavors" -
new and old (again). Which one to use is dependent upon which type of reduced
PDB you want as output. The program is described in Word, et al.(1999)
"Asparagine and glutamine: using hydrogen atom contacts in the choice of
sidechain amide orientation" J. Mol. Biol. 285, 1735-1747.
<<
PatchScript: <<
#!/bin/zsh -evf
rm -f **/*.o
rm -f **/*.a
cd %n_src
perl -pi -e 's|/usr/local/%n|%p/share/%n/%n|g' Makefile*  SConscript
<<
CompileScript: <<
#!/bin/bash -evf
  make clean
  make
<<
InstallScript: <<
#!/bin/bash -evf
mkdir -p %i/bin
cp %n_src/%n   %i/bin/.
mkdir -p %i/share/%n
cp ../%n_het_dict.txt  %i/share/%n/.
cp ../%n_wwPDB_het_dict.txt  %i/share/%n/.
<<
DocFiles: README.usingReduce.txt