gentoo-overlay/sci-chemistry/pdbcat/metadata.xml

<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
  <maintainer type="project">
    <email>sci-chemistry@gentoo.org</email>
    <name>Gentoo Chemistry Project</name>
  </maintainer>
  <longdescription>
The Brookhaven Protein Data Bank stores atomic coordinate information
for protein structures in a column based format.  This is designed to
be read easily read by FORTRAN programs.  Indeed, if you get the
format description (from anonymous ftp to ftp.pdb.bnl.gov, the file
/pub/format.desc.ps) they show the single input line needed to read
each record type.
However, I am a C/C++ programmer in the Unix environment.  It is a
easier for me to deal with field based input than column based ones.
If the fields are white space delimited I can easily use awk and perl
to manipulate the coordinate information.  So I needed some way to
convert the ATOM and HETATM records of PDB files from the standard
column based format to a field based one and back again.  It needed
to denote missing fields if they exist.
That converter is `pdbcat'.
</longdescription>
</pkgmetadata>