Atom Biology General Molecule Reaction Tools Trial Virus

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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, 2161🔥, 0💬

Structure Display Command on Open Babel GUI
How to change the display command on Open Babel GUI? By default, Open Babel GUI uses Firefox to display molecule structure. If you don't have Firefox installed, you will get an error: Obgui Error: Execution of command "firefox ..." failed. System cannot find the file. To fix the problem, you can cha... 2022-05-31, 2157🔥, 0💬

"babel --append ..." Command - Calculate Molecule Properties
How to use "babel --append ..." command to calculate Molecule Properties? The "--append ..." option of the "babel" command can be used to copy existing molecule properties from the input data source, and append them to the "title" field of output molecules. But the "--append ..." option can also be ... 2020-12-26, 2139🔥, 0💬

Similarity Search with Open Babel
Where to find FAQ (Frequently Asked Questions) on Similarity Search with Open Babel? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Similarity Search with Open Babel. "babel -o fpt ..." Command - Similarity Search Fingerprint Types Supported i... 2020-12-22, 2096🔥, 0💬

What Is Stereochemistry
What Is Stereochemistry? Stereochemistry is the study of stereoisomers, which are molecules having same atoms and same connectivities, but with different spatial arrangements. Here are some stereoisomers listed in the picture below: Example of Stereoisomers You can do stereochemistry with Open Babel... 2022-11-09, 2094🔥, 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, 2081🔥, 0💬

"obfit" - Superimpose Two Molecules
What Is "obfit" command? How to use it to Superimpose Two Molecules? "obfit" command is a command line tool provided in the Open Babel package that allows you to Superimpose Two Molecules. Here is the user manual of the "obfit" command. NAME obfit -- superimpose two molecules based on a pattern SYNO... 2020-11-11, 2054🔥, 0💬

"babel -i sdf -o svg" - Custom Atom Positions
How to create a molecule structure with custom atom positions? You can create a molecule structure with custom atom positions using "obabel -i sdf -o svg" command as shown below. 1. Create a SDF file for your molecule structure. Take the L-Alanin-2D.sdf file used in other tutorials as an example. 2.... 2021-12-01, 2041🔥, 0💬

Open Babel History and Releases
When Open Babel was first developed? And how many Open Babel releases are there? The original Babel was written by Pat Walters and Matt Stahl in 2001, based on the "convert" program by Ajay Shah. The original Babel is a remarkable chemistry file conversion tool. Pat Walters and Matt Stahl rewrote Ba... 2020-09-15, 1998🔥, 0💬

"babel ... -o svg -xX" - Hide Implicit H in SVG
How to hide those H symbols (Hydrogen symbols) implicitly added to non-carbon terminal atoms in SVG with the "babel" command? If you want to hide those Hydrogen symbols implicitly added to non-carbon terminal atoms in SVG format, you can use the "-o svg -xX" option with the "babel" command. Here is ... 2020-07-22, 1988🔥, 0💬

"babel ... -o svg -xP300" Bug - width="px" height="px"
Why "babel ... -o svg -xP300" command is not able scale a molecule SVG image? The "babel ... -o svg -xP300" command has a code bug that results incorrect attributes, width="px" height="px", in the top level "svg" element. in both Open 2.3 and 2.4 releases. However, "obabel ... -o svg -xP300" command... 2020-07-22, 1968🔥, 0💬

"DNF/YUM search" - Open Babel Binary Packages
Is there any Open Babel binary packages ready to be installed with DNF/YUM on CentOS systems? The answer is yes and no, depending on which release of CentOS you are running. If you are running CentOS 8.0, Open Babel binary packages are available: fyicenter$ more /etc/system-release CentOS Linux rele... 2020-10-20, 1946🔥, 0💬

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, 1945🔥, 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, 1941🔥, 0💬

"obconformer" - Generate Best Conformer
What Is "obconformer" command? How to use it to generate the best conformer from a base molecule? "obconformer" command is a command line tool provided in the Open Babel package that allows you to generate the best conformer from a base molecule. Here is the user manual of the "obconformer" command.... 2020-11-22, 1891🔥, 0💬

contentWindow.ketcher - Access "ketcher" Object
How to access the "ketcher" object when Ketcher is loaded in an HTML "iframe" element? As mentioned in the last tutorial, if Ketcher is loaded in an HTML "iframe" element, you can access the "ketcher" object with the follow JavaScript code: lst = document.getElementsByTagName( "iframe");frm = lst[0]... 2025-09-24, 1845🔥, 2💬

💬 2025-09-24 FYIcenter.com: @Robert, Can you share your entire HTML code including the JavaScript here?

💬 2025-09-19 Robert Grossman: I downloaded the Ketcher standalone Jsvascript code from your site and copied your suggested code here onto a Web page in the ke...

Install Ketcher on Apache Web Server
How to install Ketcher on an Apache Web server? If you want to install Ketcher on a Web server for others to try it remotely, you can follow this tutorial to install it an Apache Web server. 1. Follow the previous tutorial to download and install Ketcher on your local computer in the "./standalone" ... 2024-10-14, 1840🔥, 0💬

Running Open Babel on Windows
Where to find FAQ (Frequently Asked Questions) on running Open Babel on Windows? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on running Open Babel on Windows. Install Open Babel Binary Package on Windows Run Open Babel GUI on Windows Structure... 2021-02-17, 1834🔥, 0💬

Substructure Search with SMARTS Expressions
How to use SMARTS expressions in a substructure search using "babel" commands? You can use SMARTS expressions in the "-s ..." option in "babel" commands to filter molecules that match given SMARTS expressions. Here are some examples: # C, C and O connected with single bonds fyicenter$ obabel "-:c1cc... 2021-01-09, 1765🔥, 0💬

Stereochemistry with Open Babel
Where to find FAQ (Frequently Asked Questions) on doing Stereochemistry with Open Babel? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on doing Stereochemistry with Open Babel. What Is Stereochemistry Read Stereoinformation from Input Stereo Per... 2022-05-31, 1759🔥, 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, 1719🔥, 0💬

"obenergy" - Calculate Molecule Energy
What Is "obenergy" command? How to use it to Calculate Molecule Energy? "obenergy" command is a command line tool provided in the Open Babel package that allows you to Calculate Molecule Energy. Here is the user manual of the "obenergy" command. NAME obenergy -- calculate the energy for a molecule S... 2020-11-11, 1701🔥, 0💬

"obabel ... -o svg -xP300" - Scale SVG Image
How to scale and center a molecule SVG image in a given square area? The default behavior of Open Babel 2.4 is different than 2.3 regarding scaling and centering SVG images. With Open Babel 2.4, the molecule SVG image is defaulted in the center of 200x200 square. With Open Babel 2.3, the molecule SV... 2020-07-22, 1693🔥, 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, 1682🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus