Comments (6)
awaterho
commented on August 11, 2024
Sounds like it would be very possible, it should be fast enough.
You would need to create a selection based on the mousemove event, such as
var rect = pv_viewer.boundingClientRect();
var picked = pv_viewer.pick({ x : event.clientX - rect.left, y : event.clientY - rect.top });
And then selectWithin a PV structure (eg protein = pv_viewer.get('model01').structure() )
protein.selectWithin( picked.target(),
{
radius: 4,
matchResidues:true
});
matchResidues extends the atoms found in the radius to be a complete residue.
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wjs20
commented on August 11, 2024
Hi Awaterho
Thanks! I gave the above code a try but I ran into an error.
my code
<html>
<head>
<title>Dengue Virus Methyl Transferase</title>
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
</head>
<body>
<div id=viewer></div>
</body>
<div id='picked-atom-name' style='text-align:center;'> </div>
<script type='text/javascript' src='pv.min.js'></script>
<script>
var parent = document.getElementById('viewer');
var viewer = pv.Viewer(parent,{ width : 600, height : 600, antialias : true });
parent.addEventListener('mousemove', function(event) {
var rect = viewer.boundingClientRect();
var picked = viewer.pick({ x : event.clientX - rect.left,
y : event.clientY - rect.top });
var protein = viewer.get('protein').structure()
protein.selectWithin(picked.target(), {radius: 4, matchResidues: true});
viewer.requestRedraw();
});
pv.io.fetchPdb('6umt.pdb', function(structure) {
viewer.on('viewerReady', function() {
viewer.cartoon('protein', structure);
viewer.centerOn(structure);
});
});
</script>the error
Uncaught TypeError: b.eachAtom is not a function
at j.selectWithin (pv.min.js:12:13235)
at HTMLDivElement.<anonymous> (index.html:59:13)
(anonymous) @ pv.min.js:12
(anonymous) @ index.html:59
Do you know what might be causing the issue?
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wjs20
commented on August 11, 2024
Also when I am not hovering directly over an atom, I get this error.
Uncaught TypeError: Cannot read properties of null (reading 'target')
at HTMLDivElement.<anonymous> (index.html:58:24)
(anonymous) @ index.html:58
I want to pick up atoms within a given radius of my mouse even if my mouse if not on top of an atom. Is this possible?
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awaterho
commented on August 11, 2024
You have to check that picked is not null, it will only exist if the mouse is directly over an atom.
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awaterho
commented on August 11, 2024
I see the selectWithin only works on residues, not atoms. So Some minor changes -
<script>
var parent = document.getElementById('viewer');
var viewer = pv.Viewer(parent,{ width : 600, height : 600, antialias : true });
var protein = null;
parent.addEventListener('mousemove', function(event) {
var rect = viewer.boundingClientRect();
var picked = viewer.pick({ x : event.clientX - rect.left,
y : event.clientY - rect.top });
if(!picked)
return;
viewer.rm('surrounding')
var surrounding = protein.selectWithin(picked.target().residue(), {radius: 4, matchResidues: true});
viewer.lines('surrounding', surrounding);
viewer.requestRedraw();
});
pv.io.fetchPdb('6umt.pdb', function(structure) {
viewer.on('viewerReady', function() {
viewer.cartoon('protein', structure);
viewer.centerOn(structure);
protein = viewer.get('protein').structure();
});
});
</script>
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wjs20
commented on August 11, 2024
That worked quite nicely. Thanks! :)
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