NOTES_xml.txt

/*
** Copyright (C) The Scripps Research Institute 2005
**
** Authors: Alexandre Gillet <gillet@scripps.edu>
**  
** $Header: /Users/mp/facil/autodock/git-luna/autodock-cvstar/NOTES_xml.txt,v 1.1 2005/03/15 23:55:19 gillet Exp $
** $Id: NOTES_xml.txt,v 1.1 2005/03/15 23:55:19 gillet Exp $
**  
*/

How to get the state variable output in xml document?

	run autodock with option -s filename

	./autodock -p file.dpf -l file.dlg -s file.xml

The xml doc structure is the following:

<? xml version="1.0" ?>
<autodock>
	<version>%5.2f</version>
	<autogrid_version>%5.2f</autogrid_version>
	<output_xml__version>%5.2f</output_xml_version>
        <runs>
        <run id="%4d">
                <seed>%ld %ld</seed>
                <dpf>%s</dpf>
                <free_NRG_binding></free_NRG_binding>
                <Ki></Ki>
                <Temp>%.2f</Temp>
                <final_dock_NRG>%+7.2f or %+11.2e</final_dock_NRG>
                <final_intermol_NRG>%+7.2f or %+11.2e</final_intermol_NRG>
                <internal_ligand_NRG>%+7.2f or %+11.2e</internal_ligand_NRG>
                <torsonial_free_NRG>%+7.2f or %+11.2e</torsonial_free_NRG>
                <move>%s</move>
                <about>>%f %f %f</about>
                <tran0>%f %f %f</tran0>
                <quat0>%f %f %f %f</quat0>
                <ndihe>%d</ndihe>
                <dihe0>%.2f</dihe0>
        </run>
        </runs>
</autodock>