Atom Biology General Molecule Reaction Tools Trial Virus

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Bond Type Codes in Ketcher File
What are bond type codes supported by Ketcher file? Ketcher file supports the following bond type codes: Single bond - "type": 1 Double bond - "type": 2 Triple Bond - "type": 3 Any bond - "type": 8 Aromatic bond - "type": 4 Single/double bond - "type": 5 Single/aromatic bond - "type": 6 Double/aroma... 2024-02-18, 1279🔥, 0💬

JSApplet.Inchi.computeInchi() - Generate InChI
How to generate InChI and InChIKey with the JSApplet.Inchi.computeInchi() method? The latest version of JSME allows you to generate InChI and InChIKey from a given molecule in SDF format. Here are the steps you can follow to do this in JavaScript code: 1. Create an empty object called "JSApplet" and... 2023-01-18, 1271🔥, 0💬

Show InChI String on Ketcher
How to display the InChI string of the molecule in Ketcher editor? You can follow steps below to display the InChI string of the molecule in Ketcher editor. 1. Open Ketcher editor as shown in previous tutorial. 2. Select the "Benzene" button in the template toolbar at the bottom of the editor window... 2023-10-27, 1254🔥, 0💬

editor.struct().loops - Get Loop List
How to get a list of loops currently in the Ketcher editor with the editor.struct().loops property? If you want to get a list of loops currently in the Ketcher editor, you can use the editor.struct().loops property on the Ketcher Editor interface. Here is an HTML document that shows you how to get a... 2023-11-23, 1252🔥, 0💬

editor.options() - Get Editor Options
How to get a list of options used by the Ketcher editor with the editor.options() method? If you want to get a list of options used by the Ketcher editor, you can use the editor.options() method on the Ketcher Editor interface. Here is an HTML document that shows you how to get a list of options cur... 2023-11-18, 1247🔥, 0💬

One Molecule with Disconnected Parts
Can I specify a single molecule object with multiple disconnected parts in a Ketcher file? Yes, you can specify a single molecule object with multiple disconnected parts in a Ketcher file. Here is a simple example of Ketcher file with a single "molecule" object of a 4-carbon chain. But the bond betw... 2024-01-31, 1233🔥, 0💬

editor.struct().atoms - Get Atom List
How to get a list of atoms currently in the Ketcher editor with the editor.struct().atoms property? If you want to get a list of atoms currently in the Ketcher editor, you can use the editor.struct().atoms property on the Ketcher Editor interface. Here is an HTML document that shows you how to get a... 2023-12-01, 1197🔥, 0💬

editor.struct().bonds - Get Bond List
How to get a list of bonds currently in the Ketcher editor with the editor.struct().bonds property? If you want to get a list of bonds currently in the Ketcher editor, you can use the editor.struct().bonds property on the Ketcher Editor interface. Here is an HTML document that shows you how to get a... 2023-12-01, 1174🔥, 0💬

Molecule Structure with Directed Bonds
How to specify a directed bond at a stereocenter in a molecule structure in Ketcher file format? You need to use the optional "stereo" property to specify a directed bond at a stereocenter in a molecule structure. For example: "stereo": 1 - for a upward bond "stereo": 6 - for a downward bond Note th... 2024-03-07, 1119🔥, 0💬

Scaling Issue on Importing Ketcher File
Why is my reaction schema scaled badly when imported from the Ketcher editor UI? The Ketcher editor UI seems to have a code bug. When a reaction schema stored in a Ketcher file is imported from the editor user interface, atom locations and the reaction arrow may be scaled down or up when mapping to ... 2024-01-31, 1078🔥, 0💬

"-o svg -xd -d" Bug in Open Babel 3.1.1
Why "obabel ... -o svg -xd -d" is not able to remove hydrogens? It seems to be code bug in the "obabel" command in Open Babel 3.1.1 release. In Open Babel 3.1.1 release, options -xd and -d are not respected together for SVG output in the "obabel -i sdf -o svg -xC -xt -xP400 -xd -d" command. For exam... 2023-01-24, 892🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus