writeArchive.pl - Revision history

Edit: /* Description */

2009-07-30T21:14:34Z

Description

Edit: /* Examples */

2009-07-29T16:00:04Z

Examples

Edit: /* Options */

2009-07-29T04:39:45Z

Options

Edit: /* Description */

2009-07-29T04:37:40Z

Description

Feig at 14:27, 12 August 2006

2006-08-12T14:27:25Z

New page

__NOTOC__
== Usage ==

<mmtsbToolUsage cmd="writeArchive.pl"></mmtsbToolUsage>

== 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 <docmark>readArchive.pl</docmark>. 
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 <docmark>readArchive.pl</docmark>.

== Options ==

; -help : usage information

== Examples ==

<mmtsbToolExample cmd="writeArchive.pl" set="/apps/mmtsb/bench/writeArchive.pl-test/test1"></mmtsbToolExample>

<mmtsbToolExample cmd="writeArchive.pl" set="/apps/mmtsb/bench/writeArchive.pl-test/test2"></mmtsbToolExample>

@@ Line 8: / Line 8: @@
 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]].<BR>
 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.<BR>
 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

←Older revision		Revision as of 16:00, 29 July 2009
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	<mmtsbToolExample cmd="writeArchive.pl" set="/apps/mmtsb/bench/writeArchive.pl-test/test2"></mmtsbToolExample>		<mmtsbToolExample cmd="writeArchive.pl" set="/apps/mmtsb/bench/writeArchive.pl-test/test2"></mmtsbToolExample>
		+
		+	<mmtsbToolExample cmd="writeArchive.pl" set="/apps/mmtsb/bench/writeArchive.pl-test/test3"></mmtsbToolExample>

@@ Line 7: / Line 7: @@
 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 <docmark>readArchive.pl</docmark>.<BR>
+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
 given as a parameter or read from standard input otherwise. By default the data is added at the end of the
@@ Line 14: / Line 14: @@
 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
-this case a PDB template is needed for retrieving data entries later with <docmark>readArchive.pl</docmark>.
+this case a PDB template is needed for retrieving data entries later with [[readArchive.pl]].
 == Options ==

@@ Line 19: / Line 19: @@
 ; -help : usage information
+; -inx index : write a structure to the position in the archive file specified in the index value
 == Examples ==