STEINNI
70 lines
2.0 KiB
JavaScript
70 lines
2.0 KiB
JavaScript
import { PDBLoader } from 'three/examples/jsm/loaders/PDBLoader.js'
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async function loadMolecule(url) {
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const loader = new PDBLoader()
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return new Promise((resolve, reject) => {
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loader.load(
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url,
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pdb => {
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// pdb contient:
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// pdb.geometryAtoms : BufferGeometry des atomes
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// pdb.geometryBonds : BufferGeometry des liaisons
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// pdb.json : infos (numéro atomique, couleurs…)
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const group = new THREE.Group()
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// --- Atomes ---
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const atomsGeo = pdb.geometryAtoms
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const atomsInfo = pdb.json.atoms
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for (let i = 0; i < atomsInfo.length; i++) {
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const atom = atomsInfo[i]
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const position = new THREE.Vector3(
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atomsGeo.attributes.position.getX(i),
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atomsGeo.attributes.position.getY(i),
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atomsGeo.attributes.position.getZ(i)
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)
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const color = new THREE.Color(atom.color)
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const radius = atom.radius
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const sphere = new THREE.Mesh(
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new THREE.SphereGeometry(radius, 32, 16),
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new THREE.MeshPhongMaterial({ color })
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)
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sphere.position.copy(position)
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group.add(sphere)
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}
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// --- Liaisons ---
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const bondsGeo = pdb.geometryBonds
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for (let i = 0; i < bondsGeo.attributes.position.count; i += 2) {
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const start = new THREE.Vector3().fromBufferAttribute(bondsGeo.attributes.position, i)
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const end = new THREE.Vector3().fromBufferAttribute(bondsGeo.attributes.position, i + 1)
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const bondLength = start.distanceTo(end)
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const cyl = new THREE.Mesh(
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new THREE.CylinderGeometry(0.1, 0.1, bondLength, 16),
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new THREE.MeshPhongMaterial({ color: 0xffffff })
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)
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// Orienter et positionner le cylindre
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cyl.position.copy(start).lerp(end, 0.5)
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cyl.lookAt(end)
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cyl.rotateX(Math.PI / 2)
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group.add(cyl)
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}
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resolve(group)
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},
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undefined,
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reject
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)
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})
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} |