Import Ketcher File to Editor

Q

How to import Ketcher file to the Ketcher editor?

✍: FYIcenter.com

A

If you created a Ketcher file, you can verify it by importing it to the Ketcher editor as described below:

1. Create a Ketcher file, cyclobutane.ket, with a text editor:

{
    "root": {
        "nodes": [
            { "$ref": "mol0" }
        ]
    },
    "mol0": {
        "type": "molecule",
        "atoms": [
            {
                "label": "C",
                "location": [ 0, 0, 0 ]
            },
            {
                "label": "C",
                "location": [ 1, 0, 0 ]
            },
            {
                "label": "C",
                "location": [ 1, 1, 0 ]
            },
            {
                "label": "C",
                "location": [ 0, 1, 0 ]
            }
        ],
        "bonds": [
            {
                "type": 1,
                "atoms": [ 0, 1 ]
            },
            {
                "type": 1,
                "atoms": [ 1, 2 ]
            },
            {
                "type": 1,
                "atoms": [ 2, 3 ]
            },
            {
                "type": 1,
                "atoms": [ 3, 0 ]
            }
        ]
    }
}

2. Open Ketcher editor as shown in previous tutorials.

3. Click the "open" icon in the action toolbar at the top of the editor window. You see the "Open Structure" dialog box displayed.

4. Click the "OPEN FROM FILE" button to import the Ketcher file, cyclobutane.ket. You see a cyclobutane molecule structure displayed in the editor.

Import Structure in Ketcher File Format
Import Structure in Ketcher File Format

 

Ketcher File Structure for Molecule

Export Ketcher File from Editor

Ketcher File Format for Chemical Structures

⇑⇑ Ketcher - Chemical Structure Editor

2024-03-23, 344🔥, 0💬