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residues.html
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residues.html
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<!DOCTYPE html>
<html lang="en">
<head>
<title>Chemical Components in the PDB</title>
<meta charset="UTF-8">
<meta name="viewport" content="width=device-width, initial-scale=1">
<link rel="stylesheet" type="text/css" href="css/datatables.min.css"/>
<style>
html { margin: 0 auto; max-width: 1200px; overflow-y: scroll; color: #3b4044;
background-color: #f8f8f8; }
body { font: 13px sans-serif; line-height: 150%; margin: 0; }
h1 { text-align: center; font-size: 30px; font-weight: normal; }
h2 { text-align: center; font-size: 20px; margin-top: 40px; }
th, #table th.dt-right { text-align: center; }
#table thead tr th.sorting { padding-right: 18px; }
#table tfoot th { font-size: 11px; text-align: center; }
#table tfoot th { padding: 1px; }
a:link, a:visited { text-decoration: none; }
#footnote a { border-bottom: 1px dashed; color: #24a; }
#footnote { font-size: 12px; text-align: center; padding: 30px 0; }
</style>
</head>
<body>
<h1>Chemical Components in the PDB</h1>
<table id="table" class="display compact" width="100%" cellspacing="0">
<thead>
<tr>
<th>code</th>
<th>has metal</th>
<th>CCD type</th>
<th>Refmac type</th>
<th>PDB entries</th>
<th>total count</th>
<th>in non-polym.</th>
<th>in<br/>branch.</th>
<th>in<br/>L-pept</th>
<th>in<br/>D-pept</th>
<th>in<br/>DNA</th>
<th>in<br/>RNA</th>
<th>in<br/>h.NA</th>
<th>in<br/>other</th>
<th>example</th>
</tr>
</thead>
<tfoot>
<tr>
<th>code</th>
<th>contains metal</th>
<th>CCD type</th>
<th>Refmac group</th>
<th>in % of PDB entries</th>
<th>total count</th>
<th>in non-polymer</th>
<th>in bran­ched</th>
<th>in poly­pep­tide(L)</th>
<th>in poly­pep­tide(D)</th>
<th>in DNA</th>
<th>in RNA</th>
<th>in DNA/RNA hybrid</th>
<th>in<br/>pept.-NA<br/>or other</th>
<th>example</th>
</tr>
</tfoot>
</table>
<div id="footnote">
This is part of the
<a href="https://project-gemmi.github.io/">project GEMMI</a>.
Uses <a href="https://datatables.net">DataTables</a>.
Data was extracted from wwPDB on 2023-01-01.
<p><b><a href="https://github.com/project-gemmi/pdb-stats">
Source code and info...</a></b>
</div>
<script src="js/jquery-3.6.0.min.js"></script>
<script src="js/datatables.min.js"></script>
<script>
"use strict";
var file_count = 199766;
var file_percent_mult = 100.0 / file_count;
function render_percent(data) {
return data === 0 ? '0%' : data.toFixed(3) + '%';
}
function render_file_percent(data) {
return (file_percent_mult * data).toFixed(3) + '%';
}
function render_metals(data) {
return data === 0 ? 'N' : 'Y';
}
$(document).ready(function() {
$('#table').DataTable({
ajax: 'residues.json',
autoWidth: false,
lengthMenu: [100, 300, 1000, 3000, 10000, 30000, 100000],
order: [],
columnDefs: [
{
// count columns
orderSequence: [ 'desc', 'asc' ],
searchable: false,
className: 'dt-right',
targets: [ 4, 5, 6, 7, 8, 9, 10, 11, 12, 13 ]
}
],
'columns': [
{ width: '60px' }, // code
{ width: '50px', searchable: false, className: 'dt-center',
orderSequence: [ 'desc', 'asc' ],
render: { display: render_metals }
},
{ width: '120px' }, // CCD type
{ width: '110px' }, // Refmac type
{ width: '75px', searchable: false, className: 'dt-right',
render: { display: render_file_percent }
},
{ width: '85px' }, // total count
{ width: '80px' }, // non-polymer
{ width: '70px' }, // branched
{ width: '70px' }, // L-pept
{ width: '70px' }, // D-pept
{ width: '70px' }, // DNA
{ width: '70px' }, // RNA
{ width: '55px' }, // DNA/RNA
{ width: '55px' }, // other
{ width: '80px', searchable: false, className: 'dt-center', orderable: false },
]
});
});
</script>
</body>
</html>
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