<table border='0' width='100%'><tr>
<td align='left'><small>
When finished, you should
<input type="button" value="close this window"
language="JavaScript" onclick="self.close();">.
</small></td><td align='right'><small><i>
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</i></small></td>
</tr></table>
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<?php
$in = fopen($file, 'rb');
clearstatcache();
$data = fread($in, filesize($file));
$table = mpUnserialize($data);
fclose($in);
// Sort table rows according to user request
if (isset($_REQUEST['sort_dir'])) {
$direction = $_REQUEST['sort_dir'] + 0;
} else {
$direction = 1;
}
// ascending
if (isset($_REQUEST['sort_col'])) {
$col = $_REQUEST['sort_col'] + 0;
} else {
$col = -1;
}
// don't sort (native order)
echo formatSortableTable($table, "viewtable.php?{$_SESSION['sessTag']}&file={$file}", $col, $direction);
/**
* $resout is the residue table file created by writeMulticritChart
* $rscc_file is the formatted rscc file
* $multi_table is the multi crit chart (to get the prequel)
* $outfile is the name out file that this function will write to
* $raw_rscc_out is the raw rscc file
*/
function writeHorizontalChart($resout, $rscc_file, $multi_table, $outfile, $rscc_prequel_out)
{
$startTime = time();
// get prequel
$in = fopen($multi_table, 'rb');
clearstatcache();
$data = fread($in, filesize($multi_table));
fclose($in);
$multi = mpUnserialize($data);
$prequel = $multi['prequel'];
$in = fopen($resout, 'rb');
clearstatcache();
$data = fread($in, filesize($resout));
fclose($in);
$res_table = mpUnserialize($data);
$rscc_table = csv_to_array($rscc_file, ',');
// {{{ integrate rscc into $res_table annd set $horiz_table
foreach ($rscc_table as $info) {
if (!array_key_exists($info['res_id'], $res_table)) {
continue;
}
$res_table[$info['res_id']]['worst_b_bb'] = $info['worst_b_bb'];
$res_table[$info['res_id']]['worst_cc_bb'] = $info['worst_cc_bb'];
$res_table[$info['res_id']]['worst_2fo-fc_bb'] = $info['worst_2fo-fc_bb'];
$res_table[$info['res_id']]['worst_b_sc'] = $info['worst_b_sc'];
$res_table[$info['res_id']]['worst_cc_sc'] = $info['worst_cc_sc'];
$res_table[$info['res_id']]['worst_2fo-fc_sc'] = $info['worst_2fo-fc_sc'];
}
// params = bb Density, sc Density, Clash, Ramachandran, Rotamer,
// cB deviation, Bond length, Bond angle');
$mp_params = array('bb Density', 'sc Density', 'Clash', 'Ramachandran', 'Rotamer', 'cB deviation', 'Bond length', 'Bond angle');
$horiz_table = array();
// create array for horizontal table
foreach ($mp_params as $param) {
$horiz_table[$param] = array();
foreach ($res_table as $resid => $info) {
if (substr($resid, -3) != "HOH") {
$horiz_table[$param][$resid] = array();
}
}
}
// }}}
// {{{ set parameters
// {{{ set bb Density
foreach ($horiz_table['bb Density'] as $resid => $info) {
$horiz_table['bb Density'][$resid]['value'] = array();
$horiz_table['bb Density'][$resid]['value']['2fo-fc'] = $res_table[$resid]['worst_2fo-fc_bb'];
$horiz_table['bb Density'][$resid]['value']['cc'] = $res_table[$resid]['worst_cc_bb'];
$s = "<center>Backbone Density<br />cc : ";
$s .= $horiz_table['bb Density'][$resid]['value']['cc'] . "<br />2Fo-Fc : ";
$s .= $horiz_table['bb Density'][$resid]['value']['2fo-fc'] . "</center>";
$horiz_table['bb Density'][$resid]['html'] = $s;
$img = "no_out.png";
if ($horiz_table['bb Density'][$resid]['value']['2fo-fc'] < 1.1 || $horiz_table['bb Density'][$resid]['value']['cc'] < 0.75) {
$img = "density_outA.png";
}
if ($horiz_table['bb Density'][$resid]['value']['2fo-fc'] < 0.8 || $horiz_table['bb Density'][$resid]['value']['cc'] < 0.6) {
$img = "density_outB.png";
}
$horiz_table['bb Density'][$resid]['image'] = $img;
}
// }}}
// {{{ set sc Density
foreach ($horiz_table['sc Density'] as $resid => $info) {
$horiz_table['sc Density'][$resid]['value'] = array();
$horiz_table['sc Density'][$resid]['value']['2fo-fc'] = $res_table[$resid]['worst_2fo-fc_sc'];
$horiz_table['sc Density'][$resid]['value']['cc'] = $res_table[$resid]['worst_cc_sc'];
$s = "<center>Backbone Density<br />cc : ";
$s .= $horiz_table['sc Density'][$resid]['value']['cc'] . "<br />2Fo-Fc : ";
$s .= $horiz_table['sc Density'][$resid]['value']['2fo-fc'] . "</center>";
$horiz_table['sc Density'][$resid]['html'] = $s;
$img = "no_out.png";
if ($horiz_table['sc Density'][$resid]['value']['2fo-fc'] < 1.1 || $horiz_table['sc Density'][$resid]['value']['cc'] < 0.75) {
$img = "density_outA.png";
}
if ($horiz_table['sc Density'][$resid]['value']['2fo-fc'] < 0.8 || $horiz_table['sc Density'][$resid]['value']['cc'] < 0.6) {
$img = "density_outB.png";
}
if (endsWith($resid, "GLY") || endsWith($resid, "gly")) {
$horiz_table['sc Density'][$resid]['value']['2fo-fc'] = '-';
$horiz_table['sc Density'][$resid]['value']['cc'] = '-';
$img = "null.png";
}
$horiz_table['sc Density'][$resid]['image'] = $img;
}
// }}}
// {{{ set Clash
foreach ($horiz_table['Clash'] as $resid => $info) {
if ($res_table[$resid]['clash_isbad']) {
$horiz_table['Clash'][$resid]['value'] = $res_table[$resid]['clash_val'];
// $info['value'] = $res_table[$resid]['clash_val'];
$horiz_table['Clash'][$resid]['html'] = $res_table[$resid]['clash'];
if ($horiz_table['Clash'][$resid]['value'] < 0.7) {
$img = "clash_outA.png";
} elseif ($horiz_table['Clash'][$resid]['value'] < 1.0) {
$img = "clash_outC.png";
} else {
$img = "clash_outD.png";
}
$horiz_table['Clash'][$resid]['image'] = $img;
} else {
$horiz_table['Clash'][$resid]['value'] = 0;
$horiz_table['Clash'][$resid]['html'] = "<center>-</center>";
$horiz_table['Clash'][$resid]['image'] = "no_out.png";
}
}
// }}}
// {{{ set Ramachandran
foreach ($horiz_table['Ramachandran'] as $resid => $info) {
$horiz_table['Ramachandran'][$resid]['value'] = $res_table[$resid]['rama_val'];
$horiz_table['Ramachandran'][$resid]['html'] = $res_table[$resid]['rama'];
if ($res_table[$resid]['rama_isbad']) {
$img = "rama_out.png";
} else {
$img = "no_out.png";
}
$horiz_table['Ramachandran'][$resid]['image'] = $img;
}
// }}}
// {{{ set Rotamer
foreach ($horiz_table['Rotamer'] as $resid => $info) {
$horiz_table['Rotamer'][$resid]['value'] = $res_table[$resid]['rota_val'];
$horiz_table['Rotamer'][$resid]['html'] = $res_table[$resid]['rota'];
if ($res_table[$resid]['rota_isbad']) {
$img = "rotamer_out.png";
} else {
$img = "no_out.png";
}
if (endsWith($resid, "GLY") || endsWith($resid, "gly")) {
$img = "null.png";
}
$horiz_table['Rotamer'][$resid]['image'] = $img;
}
// }}}
// {{{ set cB deviation
foreach ($horiz_table['cB deviation'] as $resid => $info) {
if ($res_table[$resid]['cbdev_isbad']) {
$horiz_table['cB deviation'][$resid]['value'] = $res_table[$resid]['cbdev_val'];
$horiz_table['cB deviation'][$resid]['html'] = $res_table[$resid]['cbdev'];
$horiz_table['cB deviation'][$resid]['image'] = "cBd_out.png";
} else {
$horiz_table['cB deviation'][$resid]['value'] = 0;
$horiz_table['cB deviation'][$resid]['html'] = "<center>-</center>";
$horiz_table['cB deviation'][$resid]['image'] = "no_out.png";
}
}
// }}}
// {{{ set Bond length
foreach ($horiz_table['Bond length'] as $resid => $info) {
if ($res_table[$resid]['bbonds_isbad']) {
$horiz_table['Bond length'][$resid]['value'] = $res_table[$resid]['bbonds_isbad'];
$horiz_table['Bond length'][$resid]['html'] = $res_table[$resid]['bbonds'];
$horiz_table['Bond length'][$resid]['image'] = "bl_out.png";
} else {
$horiz_table['Bond length'][$resid]['value'] = 0;
$horiz_table['Bond length'][$resid]['html'] = "<center>-</center>";
$horiz_table['Bond length'][$resid]['image'] = "no_out.png";
}
}
// }}}
// {{{ set Bond angle
foreach ($horiz_table['Bond angle'] as $resid => $info) {
if ($res_table[$resid]['bangles_isbad']) {
$horiz_table['Bond angle'][$resid]['value'] = $res_table[$resid]['bangles_isbad'];
$horiz_table['Bond angle'][$resid]['html'] = $res_table[$resid]['bangles'];
$horiz_table['Bond angle'][$resid]['image'] = "ba_out.png";
} else {
$horiz_table['Bond angle'][$resid]['value'] = 0;
$horiz_table['Bond angle'][$resid]['html'] = "<center>-</center>";
$horiz_table['Bond angle'][$resid]['image'] = "no_out.png";
}
}
// }}}
// }}}
$table1 = array();
$table1['prequel'] = $prequel;
$table1['rscc_prequel'] = getRsccPrequel($horiz_table, $rscc_prequel_out);
$table1['horiz_table'] = $horiz_table;
$out = fopen($outfile, 'wb');
fwrite($out, mpSerialize($table1));
fclose($out);
echo "Formatting horizontal chart table took " . (time() - $startTime) . " seconds\n";
}
