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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, 611👍, 0💬

Introduction to SDF/Mol File Format
Where to find FAQ (Frequently Asked Questions) in understanding what is SDF/Mol (V2000 and V3000) file format? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team in understanding what is SDF/Mol (V2000 and V3000) file format. What Is SDF/Mol File For...
2020-04-16, 603👍, 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, 599👍, 0💬

Tools for SDF/Mol V3000 File Format
What are tools that support the SDF/Mol V3000 file format? There are a number of online or standalone tools that support the SDF/Mol V3000 file format. Open Babel - Can read and write molecules in SDF/Mol V3000 file format. (Convert SDF to SDF V3) fyicenter$ obabel FYI-001.sdf -o sdf -O test.sd3 -x3...
2021-04-04, 595👍, 0💬

chemdb.niaid.nih.gov - Molecule Compounds Against HIV
What is chemdb.niaid.nih.gov's Molecule Compounds Against HIV? chemdb.niaid.nih.gov offers a searchable database of over 40,000 Molecule Compounds Against HIV. You can search the database by structure, molecule names, chemical properties, or HIV targets. Molecule Online Database - chemdb.niaid.nih.g...
2020-04-17, 588👍, 0💬

Show InChi and InChi Key on JSME
How to display the InChi string and InChi Key of the molecule in JSME editor? JSME does not offer any API methods to export the InChi string and InChi Key of the molecule in the editor. But you can display them on the editor UI. 1. Follow the previous tutorial to install JSME on your Web server. 2. ...
2020-05-18, 587👍, 0💬

molview.org - Draw/View/Search Molecules
What is molview.org? molview.org is a Website that offers MolView as an open source web application, and an online tool to draw, view and search molecules. MolView is an intuitive, Open-Source web-application to make science and education more awesome! MolView is mainly intended as web-based data vi...
2020-04-16, 584👍, 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, 578👍, 0💬

biomodel.uah.es - Draw/View Molecules
What is biomodel.uah.es? biomodel.uah.es is a Website that offers an online tool to draw and view and search molecules. biomodel.uah.es uses the JSME Molecular Editor, which may be used for free under terms of the BSD Licence. JSME Editor courtesy of Peter Ertl and Bruno Bienfait. And for the 3D mod...
2020-04-16, 578👍, 0💬

What Are CTfile and CTAB
What Are CTfile (Chemical Table File) and CTAB (Connection Table)? CTfile (Chemical Table File) refers to six file formats that are used to store chemical information in a table style. All CTfile formats shares a common structure called CTAB (Connection Table), which describes the structural relatio...
2020-04-16, 575👍, 0💬

Molecule FYI-1000048
Molecule Summary: ID: FYI-1000048 SMILES: Received at FYIcenter.com on: 2020-05-18
2020-05-18, 571👍, 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, 570👍, 0💬

chemwriter.com - Draw/View Molecules
What is chemwriter.com? chemwriter.com is a Website that offers ChemWriter as commercial software and an online tool to draw and view and search molecules. Molecule Online Tool - chemwriter.com For more information, visit chemwriter.com.     ⇒ peter-ertl.com/jsme - JSME (JavaScript Molecule E...
2020-04-16, 564👍, 0💬

"babel" vs. "obabel" Commands
What are the differences between "babel" and "obabel" commands? "babel" and "obabel" commands are two commands of the same Open Babel chemical data conversion program with slightly different command line syntaxes. You can see the syntax differences between "babel" and "obabel" commands by running th...
2021-07-19, 560👍, 0💬

Molecule FYI-1000155
Molecule Summary: ID: FYI-1000155 SMILES: CC Received at FYIcenter.com on: 2020-06-17
2020-08-03, 560👍, 1💬

Molecule FYI-1000044
Molecule Summary: ID: FYI-1000044 SMILES: C1=CC=CC=C1 Received at FYIcenter.com on: 2020-04-21
2020-04-21, 560👍, 0💬

"obgen" - Generate Molecule 3D Structures
What Is "obgen" command? How to use it to Generate Molecule 3D Structures? "obgen" command is a command line tool provided in the Open Babel package that allows you to Generate Molecule 3D Structures. "obgen" command does the same job as the "babel ... --gen3D" with more options. Here is the user ma...
2020-11-11, 559👍, 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, 559👍, 0💬

Molecule FYI-1000040
Molecule Summary: ID: FYI-1000040 SMILES: c1ccccc1 Received at FYIcenter.com on: 2020-04-21
2020-04-21, 558👍, 0💬

Skeletal Formula Notations
What notations are used in molecule skeletal formula? There are a number of notations are used Skeletal Formula to simiplify molecule diagrams. 1. Carbon Element Symbols Removed - Since carbon elements are so common in molecules, carbon element symbols are removed from Skeletal Formula diagrams. Whe...
2020-08-03, 553👍, 1💬

Molecule FYI-1000043
Molecule Summary: ID: FYI-1000043 SMILES: CC1=CC=C(C=C1)C(=O)O Received at FYIcenter.com on: 2020-04-21
2020-04-21, 548👍, 0💬

Rotamers Example
What are examples of Rotamers? The picture below gives an example of Rotamers: Stereoisomers &gt; Diastereomers &gt; Conformational &gt; Rotamers   ⇒ Molecule Online Tools ⇐ Enantiomers Isomer Example ⇑ Introduction to Molecules ⇑⇑ Molecule FAQ
2020-07-07, 541👍, 0💬

What Are Valence Electrons
What Are Valence Electrons of an Atom? Valence Electrons of an Atom are electrons located on the most outer shell of the atom. The number of Valence Electrons of an atom is very important chemical property of the atom. There is no easy way to calculate the number of Valence Electrons of an atom. But...
2020-05-29, 534👍, 0💬

Molecule FYI-1000069
Molecule Summary: ID: FYI-1000069 SMILES: Nc1cc[nH]c(=O)n1 Received at FYIcenter.com on: 2020-05-18
2020-05-18, 534👍, 0💬

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