Skip to content
Snippets Groups Projects
Commit ed3dc5fa authored by Ibrahim Roshan Kunnakkattu's avatar Ibrahim Roshan Kunnakkattu
Browse files

updated README with images

parent d84b44a2
No related branches found
No related tags found
2 merge requests!5Refactored code for diplaying aggregated ligand interactions,!4Added features for aggregated ligand interaction view and interactivity with heat map
......@@ -13,15 +13,15 @@ To see demo, copy demo directory to build and open any of the html pages.
## Component modes
* Mode A: Display bound molecule and its interactions
* Mode B: Display ligand and its interactions
* Mode C: Display ligand (chemical component) only
* Mode D: Display ligand and aggregated interactions
* Mode A: Display ligand and its interactions (Using pdb-id, pdb-res-id and pdb-chain-id)
* Mode B: Display boundmolecule and its interactions (Using pdb-id and bound-molecule-id)
* Mode C: Display ligand only (Using pdb-res-name)
* Mode D: Display ligand and aggregated interactions (Using pdb-res-name and contact-type)
| Mode A | Mode B | Mode C | Mode D |
|:------------------: | :-------: | :-------: | :-------: |
| <img src="dependencies/REA_A_200.svg"/>| <img src="dependencies/3d12_bm1.svg"/> | <img src="https://www.ebi.ac.uk/pdbe-srv/pdbechem/image/showNew?code=VIA&size=500"/> | asd |
| [1cbs REA 200 A](https://www.ebi.ac.uk/pdbe/entry/pdb/1cbs/bound/REA) | 3D12 bm1 (`2xGLC-2xBGC-LXZ-NGA-GL0`)| [wwPDB CCD - VIA](https://pdbe.org/chem/VIA) | asd |
| <img src="dependencies/REA_A_200.png">| <img src="dependencies/3d12_bm1.png"/> | <img src="https://ftp.ebi.ac.uk/pub/databases/msd/pdbechem_v2/ccd/V/VIA/VIA_500.svg"/> | <img src="dependencies/STI_aggregated_interactions.png"> |
| [1cbs REA 200 A](https://www.ebi.ac.uk/pdbe/entry/pdb/1cbs/bound/REA) | [3D12 bm1 (`2xGLC-2xBGC-LXZ-NGA-GL0`)](https://www.ebi.ac.uk/pdbe/entry/pdb/3d12/branched/4)| [wwPDB CCD - VIA](https://pdbe.org/chem/VIA) | STI |
## How to use it
......@@ -68,12 +68,13 @@ A few files needs to be imported in the page before the component is attempted t
<pdb-ligand-env pdb-id="3d12" bound-molecule-id="bm1"></pdb-ligand-env>
```
#### C) Ligand/chemical component
#### C) Ligand
```html
<pdb-ligand-env pdb-res-name="CLR" zoom-on ></pdb-ligand-env>
```
#### D) Ligand and aggregated interactions
```html
<pdb-ligand-env pdb-res-name="STI", contact-type=["hbond","hydrophobic","vdw"]></pdb-ligand-env>
```
......
<!doctype html>
<html lang="en">
<head>
<script src="https://d3js.org/d3.v5.min.js"></script>
<!-- CSS style to be used for scene drawing (required for saving SVGs.) -->
<link rel="stylesheet" href="http://127.0.0.1:8080/pdb-ligand-env-svg.css" />
<!-- UI icons -->
<link rel="stylesheet" href="https://ebi.emblstatic.net/web_guidelines/EBI-Icon-fonts/v1.3/fonts.css" />
<!-- Web component polyfill (only loads what it needs) -->
<script src="https://cdn.jsdelivr.net/npm/@webcomponents/webcomponentsjs/webcomponents-lite.js" charset="utf-8">
</script>
<script src="https://cdn.jsdelivr.net/npm/@webcomponents/webcomponentsjs/custom-elements-es5-adapter.js"
charset="utf-8"></script>
<!--PDBe interactions component-->
<script type="module" src="http://127.0.0.1:8080/pdb-ligand-env-component-1.0.0-min.js"></script>
</head>
<body>
<!--Mode A-->
<div style="position: relative; float: left;">
<div style="width: 500px; height: 500px; position: relative">
<pdb-ligand-env pdb-id="1cbs" pdb-res-id="200" pdb-chain-id="A"></pdb-ligand-env>
</div>
</div>
<!--Mode B-->
<div style="position: relative; float: left;">
<div style="width: 500px; height: 500px; position: relative">
<pdb-ligand-env pdb-id="3d12" bound-molecule-id="bm1"></pdb-ligand-env>
</div>
</div>
<!--Mode C-->
<div style="position: relative; float: left;">
<div style="width: 500px; height: 500px; position: relative">
<pdb-ligand-env pdb-res-name="CLR" zoom-on names-on></pdb-ligand-env>
</div>
</div>
</body>
</html>
\ No newline at end of file
dependencies/3d12_bm1.png

37.9 KiB

This diff is collapsed.
dependencies/REA_A_200.png

47.1 KiB

This diff is collapsed.
dependencies/STI_aggregated_interactions.png

32.8 KiB

0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment