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authorV3n3RiX <venerix@redcorelinux.org>2017-10-09 18:53:29 +0100
committerV3n3RiX <venerix@redcorelinux.org>2017-10-09 18:53:29 +0100
commit4f2d7949f03e1c198bc888f2d05f421d35c57e21 (patch)
treeba5f07bf3f9d22d82e54a462313f5d244036c768 /sci-chemistry/pdbcat/metadata.xml
reinit the tree, so we can have metadata
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+<?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>