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example.html
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<!DOCTYPE html>
<html>
<head>
<meta charset="UTF-8" />
<title>Analysis web component</title>
<link
href="https://esm.sh/@i-vresse/haddock3-analysis-components/dist/style.css"
rel="stylesheet"
/>
</head>
<body>
<div id="root"></div>
<script type="importmap">
{
"imports": {
"react": "https://esm.sh/react",
"react-dom": "https://esm.sh/react-dom",
"@i-vresse/haddock3-analysis-components": "https://esm.sh/@i-vresse/haddock3-analysis-components?bundle"
}
}
</script>
<script type="module">
import { createRoot } from "react-dom";
import { createElement } from "react";
import { ClusterTable } from "@i-vresse/haddock3-analysis-components";
const clusters = [
{
rank: 1,
id: 1,
size: 5,
score: {
mean: -5.86,
std: 1.54,
},
irmsd: {
mean: 1.81,
std: 0.53,
},
fnat: {
mean: 0.57,
std: 0.24,
},
lrmsd: {
mean: 5.07,
std: 2.25,
},
dockq: {
mean: 0.58,
std: 0.18,
},
air: {
mean: 847.55,
std: 208.47,
},
desolv: {
mean: 11.67,
std: 3.46,
},
elec: {
mean: -9.69,
std: 3.32,
},
vdw: {
mean: -2.98,
std: 9.17,
},
ilrmsd: {
mean: -2.98,
std: 9.17,
},
bsa: {
mean: -2.98,
std: 9.17,
},
// cluster_1_model_1.pdb.gz is result of haddock3 docking-protein-glycan example
best1: "/src/examples/cluster_1_model_1.pdb.gz",
// cluster_1_model_2.pdb.gz is result of haddock3 docking-antibody-antigen example
best2: "/src/examples/cluster_2_model_1.pdb.gz",
best3: "/src/examples/target.pdb",
best4: "/src/examples/target.pdb",
},
{
rank: 2,
id: 2,
size: 10,
score: {
mean: -6.12,
std: 1.23,
},
irmsd: {
mean: 1.23,
std: 0.57,
},
fnat: {
mean: 0.46,
std: 0.79,
},
lrmsd: {
mean: 4.32,
std: 2.35,
},
dockq: {
mean: 0.99,
std: 0.65,
},
air: {
mean: 765.43,
std: 321.1,
},
desolv: {
mean: 9.88,
std: 5.43,
},
elec: {
mean: -8.77,
std: 4.32,
},
vdw: {
mean: -1.23,
std: 8.77,
},
ilrmsd: {
mean: -1.34,
std: 0,
},
bsa: {
mean: -2.978,
std: 0,
},
best1: "/src/examples/target.pdb",
best2: "/src/examples/target.pdb",
best3: "/src/examples/target.pdb",
best4: "/src/examples/target.pdb",
},
];
export const headers = [
{
key: "id",
label: "ID",
},
{
key: "rank",
label: "Rank",
sorted: "asc",
},
{
key: "n",
label: "Size",
},
{ key: "score", label: "HADDOCK score [a.u.]", type: "stats" },
{ key: "vdw", label: "Van der Waals Energy", type: "stats" },
{ key: "elec", label: "Electrostatic Energy", type: "stats" },
{ key: "air", label: "Restraints Energy", type: "stats" },
{ key: "desolv", label: "Desolvation Energy", type: "stats" },
{ key: "irmsd", label: "interface RMSD [A]", type: "stats" },
{ key: "lrmsd", label: "ligand RMSD [A]", type: "stats" },
{ key: "ilrmsd", label: "interface-ligand RMSD [A]", type: "stats" },
{ key: "fnat", label: "Fraction of Common Contacts", type: "stats" },
{ key: "dockq", label: "DOCKQ", type: "stats" },
{ key: "bsa", label: "Buried Surface Area [A^2]", type: "stats" },
{
key: "best1",
label: "Nr 01 best structure",
type: "structure",
sortable: false,
},
{
key: "best2",
label: "Nr 02 best structure",
type: "structure",
sortable: false,
},
{
key: "best3",
label: "Nr 03 best structure",
type: "structure",
sortable: false,
},
{
key: "best4",
label: "Nr 04 best structure",
type: "structure",
sortable: false,
},
];
createRoot(document.getElementById("root")).render(
createElement(ClusterTable, { headers, clusters })
);
</script>
</body>
</html>