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Substructure Search with Wildcard Bond "~"
How to use Wildcard Bond in a substructure search using "babel" commands? You can use "~" in a SMARTS string as a wildcard bond to represent "ANY" bond in a substructure search using "babel" commands. Here are some examples of substructure matching with a wildcard bond "~" in the molecule pattern: f...
2020-06-08, 252👍, 0💬

Substructure Search with Open Babel
Where to find FAQ (Frequently Asked Questions) on Substructure Search with Open Babel? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Substructure Search with Open Babel. "babel -s ..." Command - Substructure Search Substructure Search with Wi...
2020-06-08, 230👍, 0💬

Substructure Search with Wildcard Atom "*"
How to use Wildcard Atom in a substructure search using "babel" commands? You can use "*" in a SMARTS string as a wildcard atom to represent "ANY" atom in a substructure search using "babel" commands. Here are some examples of substructure matching with a wildcard atom "*" in the molecule pattern: f...
2020-06-08, 218👍, 0💬

"babel -s ..." Command - Substructure Search
How to use "babel -s ..." command to do substructure search? You can do substructure search using the "-s ..." option of the "babel" command with the following syntax: babel input_section output_section -s smarts_string The smarts_string specifies a SMARTS string that represents a molecule pattern. ...
2020-06-08, 208👍, 0💬

What Are SMARTS Expressions
What are SMARTS expressions? SMARTS expressions are divided into 3 types: 1. Atom Expressions - An expression that can be evaluated to an atom pattern using atom operations on atoms and atom expressions. An atom expression must be enclosed in square bracktes, if it is not a single simple atom symbol...
2020-06-08, 200👍, 0💬

"babel -i fs ... -s query_file" - Exact Match Search
How to perform exact match in fastsearch index file using a "babel" command? If you want to perform an exact match search using the fastsearch index file, you can use the following "babel" command syntax: babel -i fs index_file output_section -s query_file In the above command: "-i fs index_file" - ...
2020-05-25, 215👍, 0💬

"babel -i fs ... -s query_file" - Substructure Search
Why am I getting no results with "babel -i fs ... -s query_file" command? It should perform a substructure search in a fastsearch index file. According to the "babel -H fs" help document, you can perform a substructure search in a fastsearch index file with the query molecule stored in a file in any...
2020-05-25, 214👍, 0💬

"babel -i fs ... -s SMILES" - Substructure Search with Index
How to perform a substructure search using the fastsearch index file with the "babel" command? If you want to perform a substructure search using the fastsearch index file, you can use the following "babel" command syntax: babel -i fs index_file output_section -s SMILES In the above command: "-i fs ...
2020-05-25, 214👍, 0💬

Install Open Babel Binary Package on macOS
How to Install Open Babel binary package on macOS computers? The easiest option to install Open Babel on macOS computers is to install the Open Babel pre-compiled binary package as shown in this tutorial. 1. Go to Open Babel download Website at SourceForge.net. 2. Click to open "Files &gt; openb...
2020-05-24, 231👍, 0💬

Understanding "babel" Command Line Syntax
Where to find FAQ (Frequently Asked Questions) on understanding "babel" Command Line Syntax? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on understanding "babel" Command Line Syntax. What Is "babel" Command "babel" Command - Input Data Source ...
2020-05-24, 226👍, 0💬

Open Babel File Location on macOS
Where are Open Babel files located on my macOS computers? If you install Open Babel 2.3.1 with the pre-compiled binary package on a macOS computer, you can find its program file location with the "which" command: fyicenter$ which babel /usr/local/bin/babel fyicenter$ ls -l /usr/local/bin/babel -rwxr...
2020-05-24, 221👍, 0💬

Open Babel Command Files on macOS
What are Open Babel commands and files installed by the macOS binary package? If you install Open Babel 2.3.1 with the pre-compiled binary package on a macOS computer, you will get a number of Open Babel commands. All Open Babel command files are located in the /usr/local/bin directory: fyicenter$ l...
2020-05-24, 216👍, 0💬

Open Babel Tutorials
Where to find FAQ (Frequently Asked Questions) on Open Babel, Chemistry Toolbox? I want to learn more about Open Babel. Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Open Babel, Chemistry Toolbox: Introduction to Open Babel What I...
2020-05-21, 345👍, 0💬

Introduction to Open Babel
Where to find FAQ (Frequently Asked Questions) on basic understanding of Open Babel, Chemistry Toolbox? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on basic understanding of Open Babel, Chemistry Toolbox. What Is Open Babel, Chemistry Toolbox ...
2020-05-21, 204👍, 0💬

JSME Tutorials
Where to find FAQ (Frequently Asked Questions) on JSME, Molecule Editor in JavaScript? I want to learn more about JSME. Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on JSME, Molecule Editor in JavaScript: Introduction to JSME What I...
2020-05-19, 534👍, 0💬

What Is JSME JavaScript API
What is JSME JavaScript API? I want to see an example on how to use it. JSME JavaScript API is programming interface provided by JSME for your JavaScript code to interact with the JSME editor. JSME JavaScript API offers the following primary methods under the "JSApplet.JSME" class: jsmeObj = new JSA...
2020-05-18, 504👍, 0💬

Build JSME Editor Web Page
How to build my own JSME editor Web Page? If you want to build your Web page and offer JSME as a molecule editor in the middle of the page, you can follow this tutorial. 1. Follow the previous tutorial to install JSME on your Web server. 2. Create a new HTML document, editor.html, to load and run th...
2020-05-18, 418👍, 0💬

Save Molecule from JSME to Server
How to save molecules created in JSME editor to the Web server? If you want to save the molecule structure created in the JSME editor to the backend Web server, you need write JavaScript code to extract the molecule data and send it as HTML form parameters. 1. Create a new HTML document, save-molecu...
2020-05-18, 363👍, 0💬

Loading JSME JavaScript in "body"
Can I load JSME JavaScript code in HTML "body" element instead of "head"? Yes, you can load JSME JavaScript code in HTML "body" element instead of "head" 1. Create a new HTML document, load-JSME-in-body.html, with JSME loaded in the "body" element: &lt;html&gt; &lt;head&gt; &lt;t...
2020-05-18, 345👍, 0💬

JS Loading Error - JSME Instance Named as "jsme"
Why I am getting the JavaScript file loading error, if I name the JSME Instance Named as "jsme"? "jsme" is used in JSME JavaScript code for another object. If you use it to name your new JSME object, it will override the other object and cause JavaScript loading errors. 1. Follow the previous tutori...
2020-05-18, 255👍, 0💬

JSME Molecule Editor Options
What JSME Molecule Editor Options? JSME Molecule Editor Options are parameters that can be passed to the editor through the API to change it behavior. Here are the options supported by JSME: xbutton, noxbutton - show / hide the X button (default is xbutton) rbutton, norbutton - show / hide the R but...
2020-05-18, 255👍, 0💬

Download and Install JSME
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_2017-02...
2020-05-18, 253👍, 0💬

Introduction to JSME
Where to find FAQ (Frequently Asked Questions) on basic understanding of JSME, Molecule Editor in JavaScript? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on basic understanding of JSME, Molecule Editor in JavaScript. What IS JSME - Molecule Ed...
2020-05-18, 241👍, 0💬

Install JSME on Apache Web Server
How to install JSME on an Appache Web server? If you want to install JSME on a Web server for others to try it remotely, you can follow this tutorial to install it an an Apache Web server. 1. Follow the previous tutorial to download and install JSME on your local computer in the "./JSME_2017-02-26" ...
2020-05-18, 237👍, 0💬

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