Difference between revisions of "setprop.pl"

Revision as of 12:07, 25 November 2008

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Options

-help: usage information

Examples

setprop.pl -dir data -at 4 sample etot 20.14
modifies the value for etot in the sample structure with the index 4

setprop.pl -dir data -f etot.data -inx 2 sample etot
sets etot values from the second column in the file etot.data for structures associated with the sample tag

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-== Description ==
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-This script can be used to manually modify or add property values for
-a structure ensemble. Required parameters are a tag identifying
-the structure subset for which the property should be set and
-a property tag to identify the property itself.<BR>
-In order to set or change a single value the new value can be
-given as the last argument while the option <B>-at</B> may
-be used to specify the structure index. Alternatively a whole series
-of data may be read from a file given with <B>-f</B>. The values
-from the file are then set consecutively starting at index 1 unless a
-different first index is given with <B>-at</B>. If the input file
-contains multiple data fields per line, the first value of each
-line is used by default, a different field index can be specifeid
-with <B>-inx</B>.
-<BR>
-The location of the ensemble directory may be given with <B>-dir</B>
-if it is not the current directory.<BR>
-<font color=#508060>setprop.pl</font> can also be used to remove a
-property and all its values from a data file. The
-<B>-remove</B> option is available for this purpose. This option
-should be used with care since there is no way to restore data once
-it has been removed.<BR>
 == Options ==