| <?xml version="1.0" encoding="UTF-8"?> |
| <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> |
| <pkgmetadata> |
| <herd>sci-chemistry</herd> |
| <maintainer> |
| <email>jlec@gentoo.org</email> |
| </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> |