diff options
author | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
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committer | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
commit | 4f2d7949f03e1c198bc888f2d05f421d35c57e21 (patch) | |
tree | ba5f07bf3f9d22d82e54a462313f5d244036c768 /sci-chemistry/pdbcat/metadata.xml |
reinit the tree, so we can have metadata
Diffstat (limited to 'sci-chemistry/pdbcat/metadata.xml')
-rw-r--r-- | sci-chemistry/pdbcat/metadata.xml | 24 |
1 files changed, 24 insertions, 0 deletions
diff --git a/sci-chemistry/pdbcat/metadata.xml b/sci-chemistry/pdbcat/metadata.xml new file mode 100644 index 000000000000..29177ef0643c --- /dev/null +++ b/sci-chemistry/pdbcat/metadata.xml @@ -0,0 +1,24 @@ +<?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> |