Atom Biology General Molecule Reaction Tools Trial Virus

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ketcher.getSmiles() and ketcher.getSmarts()
How to export the chemical structure in SMILES and SMARTS formats from the Ketcher with the ketcher.getSmiles() and ketcher.getSmarts() methods? To export the chemical structure (molecule, reaction, or substructure pattern) in SMILES and SMARTS formats from the Ketcher, you can use the getSmiles() a... 2023-12-10, 492🔥, 0💬

openbabel.cheminfo.org/v1/convert - Web API
How to make a HTTP request to the Open Babel Web API at openbabel.cheminfo.org/v1/conv ert?You can call the Open Babel Web API at https://openbabel.cheminfo.org /v1/convertwith a HTTP POST request as shown below. 1. Use "curl" command to call the Web API to generate a 3D SDF file from a given SMILES... 2023-01-24, 433🔥, 0💬

What Is Ketcher - Chemical Structure Editor in JavaScript
What Is Ketcher, Chemical Structure Editor in JavaScript? Ketcher is an open-source web-based chemical structure editor written in JavaScript. It can be used as an integrated online Web tool to draw chemical structures and reactions. Main features of Ketcher are: Fast and convenient editing - Ketche... 2023-12-17, 409🔥, 0💬

Build Ketcher Editor Web Page
How to build my own Ketcher editor Web Page? If you want to build your Web page and offer Ketcher as a Chemical Structure Editor in the middle of the page, you can follow this tutorial. 1. Follow the previous tutorial to install Ketcher on your Web server. 2. Create a new HTML document, editor.html,... 2023-10-05, 400🔥, 0💬

Use Ketcher as JS Library Without UI
How to Ketcher as a JavaScript library without the editor UI? Since Ketcher offers so many API functions, we can just use it as a JavaScript library without its editor UI. Here is an HTML document that shows you how to hide the Ketcher editor UI and use it as JavaScript library: &lt;html&gt;... 2023-10-27, 384🔥, 0💬

ketcher.setMolecule() - Import Molecule into Ketcher
How to import a molecule structure into the Ketcher with the ketcher.setMolecule() method? To import a molecule structure into the Ketcher, you can use the setMolecule(structure) method provided by the Ketcher API as shown in below: 1. Load the Ketcher editor in an "iframe" HTML element: &lt;ifr... 2024-03-17, 380🔥, 0💬

Call getInchi() and generateInchIKey() Methods
How to generate the InChI and InChIKey with the ketcher.getInchi() and ketcher.generateInchIKey() methods? InChI (International Chemical Identifier) and InChIKey (InChI Key) are identifiers of molecule structures, originally developed by Initially developed by the International Union of Pure and App... 2023-12-14, 373🔥, 0💬

Open Babel Web Interface at cheminfo.org
Is there any Web interface available for Open Babel? I want to try it before installing it on my local computer. You can try Open Babel on the Web interface provided by cheminfo.org. 1. Go to http://www.cheminfo.org/Chemis try/Cheminformatics/FormatConv erter/index.html. You see the Web interface tha... 2023-01-24, 370🔥, 0💬

indigo.convert() - Convert Structure Formats
How to convert file formats of a given structure with the indigo.convert() method? If you want to convert a chemical structure from one file format to another, you can use the indigo.convert() method on the Ketcher Indigo interface. The indigo.convert(input, opts) method takes two arguments: input -... 2023-10-12, 359🔥, 0💬

ketcher.getMolfile() - Export Molecule in Molfile Format
How to export the molecule structure in Molfile format from the Ketcher with the ketcher.getMolfile() method? To export the molecule structure in Molfile format from the Ketcher, you can use the getMolfile() method provided by the Ketcher API as shown in below: 1. Load the Ketcher editor in an "ifra... 2024-03-17, 338🔥, 0💬

What Is Ketcher Editor Interface
What is Ketcher Editor interface? Ketcher Editor interface is part of the Ketcher JavaScript API that allows you to interact with Ketcher editor UI elements. To access Ketcher Editor interface, you need to access the "ketcher" object as a property of the content "window" object of the "iframe" where... 2023-12-08, 337🔥, 0💬

What Is Ketcher Indigo Interface
What is Ketcher Indigo interface? Ketcher Indigo interface is part of the Ketcher JavaScript API that allows you to use some Indigo Toolkit functionalities. To access Ketcher Indigo interface, you need to access the "ketcher" object as a property of the content "window" object of the "iframe" where ... 2023-11-13, 328🔥, 0💬

Save Structure from Ketcher to Server
How to save structures created in Ketcher editor to the Web server? If you want to save the chemical structure created in the Ketcher editor to the backend Web server, you need write JavaScript code to extract the molecule data and send it as an HTML form parameter to the server. 1. Create a new HTM... 2023-10-11, 320🔥, 0💬

ketcher.getRxn() - Export Reaction in RXN Format
How to export the reaction structure in RXN format from the Ketcher with the ketcher.getRxn() method? To export the reaction structure in RXN format from the Ketcher, you can use the getRxn() method provided by the Ketcher API as shown in below: 1. Load the Ketcher editor in an "iframe" HTML element... 2023-12-10, 319🔥, 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, 316🔥, 0💬

Examples Provided in JSME
Where to find more examples on using JSME? The JSME distribution package provides a number example on how to use JSME. If you open "./JSME_2022-09-26/index.html" in a Web browser, you see the following examples: JSME_minimal.html - minimalistic example how to incorporate JSME into a web page JSME_te... 2023-01-18, 315🔥, 0💬

Export Chemical Structure in All Formats
How to export the chemical structure in all Formats? If you want to export the chemical structure from the Ketcher editor in all formats, you can call those get*() methods in chained promises as shown the HTML document below: &lt;html&gt; &lt;!-- export-structure-in-all-format s.htmlCopy... 2024-01-15, 310🔥, 0💬

Introduction to Ketcher
Where to find FAQ (Frequently Asked Questions) on basic understanding of Ketcher, Chemical Structure Editor in JavaScript? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on basic understanding of Ketcher, Chemical Structure Editor in JavaScript. ... 2023-11-02, 306🔥, 0💬

Install JSME 2017-02-26 Version
How to download and install JSME? If you want to try JSME on your own computer, you can follow this tutorial to download and install it. 1. Go to JSME Website at https://www.peter-ertl.com/jsm e/. 2. Click "Download the JSME 2017-02-26" to start downloading. 3. Save the download file as "JSME_2017-0... 2023-01-18, 305🔥, 0💬

Restore Structure from Server to Ketcher
How to restore a chemical structure from the Web server to the Ketcher editor? If you want to build a chemical structure editor with the capability to save the structure on the Web server and restore it later to the Ketcher, you should follow steps described below: 1. Using JavaScript to export the ... 2023-10-11, 303🔥, 0💬

editor.setOptions() - Set Editor Options
How to get a list of options used by the Ketcher editor with the editor.setOptions() method? If you want to update one or more options used by the Ketcher editor, you can use the editor.setOptions() method on the Ketcher Editor interface. Here is an HTML document that shows you how to update some op... 2023-11-18, 298🔥, 0💬

"DNF/YUM install" - Open Babel Binary Packages
How to install Open Babel binary packages with DNF/YUM commands on CentOS systems? If you are running CentOS 8, you can follow this tutorial to install Open Babel binary packages: 1. Install "openbabel" package: fyicenter$ sudo sdf install openbabel Installed: openbabel-3.1.1-14.el8.x86_64 openbabel... 2023-01-24, 294🔥, 0💬

Failed to Load D4DF9EC9DD21B943E35F3D5696D5D2A1.cache.js
Why JSME editor is not showing after upgrade to the 2022-09-26 version? If you upgraded JSME to the 2022-09-26 version from an older version, the JSME editor may fail to show up in your browser. In the browser developer console, you will see that a required JSME JavaScript file, D4DF9EC9DD21B943E35F... 2023-04-13, 275🔥, 0💬

Export Chemical Structure in All Formats Failed
What will happen if I export the chemical structure in all formats in parallel promises? If you export the chemical structure in all formats in parallel promises by calling get*() methods, you will get unpredictable results. This is caused by a code bug in the Ketcher v2.11.0 release. The following ... 2024-01-10, 271🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus