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Difference between revisions of "writeArchive.pl"
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This utility can be used to manually create or add entries to archive files. Archive files are used mainly for | This utility can be used to manually create or add entries to archive files. Archive files are used mainly for | ||
| − | storing data from replica exchange simulations. They can be read with | + | storing data from replica exchange simulations. They can be read with [[readArchive.pl]].<BR> |
The name of the archive file is required as command line parameter. The input data is either read from a file name | The name of the archive file is required as command line parameter. The input data is either read from a file name | ||
given as a parameter or read from standard input otherwise. By default the data is added at the end of the | given as a parameter or read from standard input otherwise. By default the data is added at the end of the | ||
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A specific record can be replaced if the index is given <B>-inx</B>. PDB files can be saved more economically | A specific record can be replaced if the index is given <B>-inx</B>. PDB files can be saved more economically | ||
with the <B>-pdb</B> option. In this case only the coordinates are written to the archive file. However, in | with the <B>-pdb</B> option. In this case only the coordinates are written to the archive file. However, in | ||
| − | this case a PDB template is needed for retrieving data entries later with | + | this case a PDB template is needed for retrieving data entries later with [[readArchive.pl]]. |
== Options == | == Options == | ||
Revision as of 04:37, 29 July 2009
Usage
usage: writeArchive.pl archivefile [file]
options: [-inx index]
[-pdb]
[-append]
Description
This utility can be used to manually create or add entries to archive files. Archive files are used mainly for
storing data from replica exchange simulations. They can be read with readArchive.pl.
The name of the archive file is required as command line parameter. The input data is either read from a file name
given as a parameter or read from standard input otherwise. By default the data is added at the end of the
archive file. The archive format expects that all entries have the same length. An error message is printed
out if the user attempts to write data records of variable length.
A specific record can be replaced if the index is given -inx. PDB files can be saved more economically
with the -pdb option. In this case only the coordinates are written to the archive file. However, in
this case a PDB template is needed for retrieving data entries later with readArchive.pl.
Options
- -help
- usage information
Examples
writeArchive.pl chain.archive 1vii.exp.chain
adds the contents of 1vii.exp.chain to the archive file chain.archive
writeArchive.pl -inx 4 -pdb pdb.archive 1vii.sample.4.pdb
replaces the fourth PDB coordinate entry in the archive file pdb.archive