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What Is Ketcher File Format
What is Ketcher File Format?
✍: FYIcenter.com
A Ketcher file is a JSON document that stores the entire content created in the Ketcher editor. It supports the following features:
Here is a simple example of Ketcher file storing the cyclopropane molecule:
{ "root": { "nodes": [ { "$ref": "mol0" } ] }, "mol0": { "type": "molecule", "atoms": [ { "label": "C", "location": [ 1.7493742143639297, -2.682470415521405, 0 ] }, { "label": "C", "location": [ 2.7506257856360703, -2.682470415521405, 0 ] }, { "label": "C", "location": [ 2.2500501880486854, -1.8175295844785948, 0 ] } ], "bonds": [ { "type": 1, "atoms": [ 0, 1 ] }, { "type": 1, "atoms": [ 0, 2 ] }, { "type": 1, "atoms": [ 1, 2 ] } ] } }
⇐ Ketcher File Format for Chemical Structures
2024-02-11, 185🔥, 0💬
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