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Molecule FYI-1000039
Molecule Summary: ID: FYI-1000039 SMILES: Received at FYIcenter.com on: 2020-04-21
2020-04-21, 491👍, 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, 489👍, 1💬

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, 488👍, 0💬

Run Open Babel GUI on Windows
How to run OpenBabelGUI on Windows computers? Open Babel GUI is the graphical user interface for Open Babel. You can use Open Babel GUI to open a molecule file in any supported format and convert it to any other format. Here is how to Open Babel GUI on Windows. 1. Search for "Open Babel GUI" in "Sta...
2021-03-07, 487👍, 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, 486👍, 0💬

Install Open Babel Binary Package on Windows
How to Install Open Babel binary package on Windows computers? The easiest option to install Open Babel on Windows computers is to install the Open Babel pre-compiled binary package as shown in this tutorial.: 1. Go to GitHub Website for Open Babel 3.0.0. 2. Click to download "OpenBabel-3.0.0.exe" f...
2021-02-17, 483👍, 0💬

Install Open Babel from Source Code on CentOS
How to download and instal Open Babel from source code on CentOS computers? I want to build the binary programs by myself. If you want to build the Open Babel binary programs from source code yourself, you can follow this tutorial. 1. Go to Open Babel Code Repository at https://sourceforge.net/proje. ..
2020-10-10, 482👍, 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, 479👍, 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, 476👍, 0💬

Molecule FYI-1000040
Molecule Summary: ID: FYI-1000040 SMILES: c1ccccc1 Received at FYIcenter.com on: 2020-04-21
2020-04-21, 475👍, 0💬

What Are CTfile and CTAB
What Are CTfile (Chemical Table File) and CTAB (Connection Table)? CTfile (Chemical Table File) referes 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 relati...
2020-04-16, 467👍, 0💬

What Is Tanimoto coefficient
What Is Tanimoto coefficient? Tanimoto coefficient is a metric (or score) to measure the similarity of two sets of elements. Tanimoto coefficient can be simply defined as the ratio of the intersection of the two sets over the union of the two sets. More precisely, the Tanimoto coefficient of set A a...
2020-09-30, 466👍, 0💬

Molecule FYI-1000048
Molecule Summary: ID: FYI-1000048 SMILES: Received at FYIcenter.com on: 2020-05-18
2020-05-18, 458👍, 0💬

Molecule FYI-1000044
Molecule Summary: ID: FYI-1000044 SMILES: C1=CC=CC=C1 Received at FYIcenter.com on: 2020-04-21
2020-04-21, 453👍, 0💬

Install Open Babel Library RPM Package for CentOS
How to download and install Open Babel library RPM package for CentOS computers? Open Babel library RPM package is the base package that is required to support other Open Babel RPM interface packages. So you should download and install it first as shown in this tutorial. 1. Go back to the Linux pack...
2020-10-20, 450👍, 0💬

Molecule FYI-1000155
Molecule Summary: ID: FYI-1000155 SMILES: CC Received at FYIcenter.com on: 2020-06-17
2020-08-03, 450👍, 1💬

What Is Molecule
What Is Molecule? A Molecule is a group of two or more atoms that form the smallest identifiable unit into which a pure substance can be divided and still retain the composition and chemical properties of that substance. Examples of molecules: Hydrogen gas molecule has 2 hydrogen atoms bonded togeth...
2020-04-16, 449👍, 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, 447👍, 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, 447👍, 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, 446👍, 0💬

Molecule FYI-1000042
Molecule Summary: ID: FYI-1000042 SMILES: CC(=O)OC1CC2CCC1(C2(C)C)C Received at FYIcenter.com on: 2020-04-21
2020-04-21, 445👍, 0💬

"obabel ... -o svg -xP300" - Scale SVG Image
How to scale and center a molecule SVG image in a given squar area? The default behavior of Open Babel 2.4 is different than 2.3 reguarding scalling 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 S...
2020-07-22, 444👍, 0💬

Molecule FYI-1000049
Molecule Summary: ID: FYI-1000049 SMILES: Received at FYIcenter.com on: 2020-05-18
2020-05-18, 444👍, 0💬

pubchem.ncbi.nlm.nih.gov/edit3 - Draw/View Molecules
What is pubchem.ncbi.nlm.nih.gov/edit3 ?pubchem.ncbi.nlm.nih.gov/edit3 is a Website that offers PubChem Sketcher as an online tool to draw and view molecules. PubChem Sketcher was designed to be as Browser- and platform-independent as possible and should work on any recent Web browser on MS Windows,...
2020-04-16, 443👍, 0💬

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