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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, 801👍, 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, 785👍, 0💬

What IS JSME - Molecule Editor in JavaScript
What IS JSME, Molecule Editor in JavaScript? JSME, Molecule Editor in JavaScript is a free molecule editor created by Peter Ertl and Bruno Bienfait. It can be used as an integrated online Web tool. JSME features are described in its documentation as: "JSME supports drawing and editing of molecules a...
2020-05-18, 784👍, 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, 779👍, 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, 766👍, 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, 765👍, 0💬

Open Babel Installation Options on macOS
What are the options for installing Open Babel on macOS computers? There are a number of options for installing Open Babel on macOS computers: 1. Install Open Babel with a pre-compiled binary package. Open Babel 2.3.1 macOS binary package is available. This is the easiest option to install Open Babe...
2020-09-15, 761👍, 0💬

Molecule FYI-1000045
Molecule Summary: ID: FYI-1000045 SMILES: C1=CC=NC=C1 Received at FYIcenter.com on: 2020-04-21
2020-04-21, 753👍, 0💬

pubchem.ncbi.nlm.nih.gov Molecule Database
What is pubchem.ncbi.nlm.nih.gov Molecule Database? pubchem.ncbi.nlm.nih.gov Molecule Database is the world's largest collection of small molecules with fewer than 1000 atoms and 1000 bonds. You can search pubchem.ncbi.nlm.nih.gov Molecule Database by: Chemical names Molecule formula SMILES and InCh...
2020-08-03, 750👍, 1💬

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, 750👍, 0💬

Running Open Babel on macOS
Where to find FAQ (Frequently Asked Questions) on running Open Babel on macOS? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on running Open Babel on macOS. Open Babel Installation Options on macOS Install Open Babel Binary Package on macOS Open...
2020-09-15, 738👍, 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, 730👍, 0💬

What Is Atomic Bond
What Is Atomic Bond? Atomic Bond is a physical process that ties atoms together to form a molecule. There are 3 primary types of atomic bonds that involve the outer electrons of atoms. Ionic Bond - Electrons can be transferred from one atom to another. For example, Sodium (Na) atom transfers one ele...
2020-04-16, 721👍, 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, 712👍, 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, 709👍, 0💬

Molecule FYI-1000039
Molecule Summary: ID: FYI-1000039 SMILES: Received at FYIcenter.com on: 2020-04-21
2020-04-21, 706👍, 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, 705👍, 0💬

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, 693👍, 0💬

"babel -o fpt ..." Command - Similarity Search
How to use "babel -o fpt ..." command to do similarity search? You can use the "fpt" output file format with the "babel" command to do similarity search using the following syntax: babel input_section -o fpt When you run the above commands, Open Babel will perform the following: Take the first molec...
2020-12-15, 691👍, 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, 683👍, 0💬

Molecule FYI-1000049
Molecule Summary: ID: FYI-1000049 SMILES: Received at FYIcenter.com on: 2020-05-18
2020-05-18, 669👍, 0💬

Molecule FYI-1000048
Molecule Summary: ID: FYI-1000048 SMILES: Received at FYIcenter.com on: 2020-05-18
2020-05-18, 660👍, 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, 660👍, 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, 650👍, 0💬

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