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Package: reduce
Version: 3.14.080821
Revision: 1
Maintainer: W. G. Scott
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-MD5: 0ac3ca9f592e3f4aa088a28a9ed89a18
Source2: http://kinemage.biochem.duke.edu/downloads/software/%n31/%n_wwPDB_het_dict.txt.zip
Source2-MD5: 4dbe6a5a9a40af7c5835aa047556a807
Source3: http://kinemage.biochem.duke.edu/downloads/software/%n31/%n_het_dict.txt.zip
Source3-MD5: 7a10e36dd9f3eb981510759ec2ab3413
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