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What Is SDF/Mol File Format
What Is SDF/Mol file format? SDF (Structural Data File), also call Mol file, or Molfile, is a text file to represent one or multiple molecule Structures and their associated properties. SDF was developed and published by Molecular Design Limited (MDL) and became the the most widely used standard for...
2020-04-16, 6680🔥, 0💬

Molecule FAQ
Where to find molecule FAQ (Frequently Asked Questions)? I want to learn more about molecules. Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team about molecules and their structures: Introduction to Molecules What Is Molecule What Is Mol...
2020-11-11, 6659🔥, 0💬

PyMol Tutorials
Where to find tutorials on molecule visualization software PyMol? I want to know how to use PyMol. Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team about molecule visualization software PyMol: PyMol Installation What Is PyMol Install Py...
2020-04-16, 6470🔥, 0💬

3Dmol.js FAQ
Where to find 3Dmol.js FAQ (Frequently Asked Questions)? I want to learn more about 3Dmol.js JavaScript library. Here is a large collection of answers to frequently asked questions compiled by FYIcenter.com team about 3Dmol.js JavaScript library: Getting Started with 3Dmol.js What Is 3Dmol.js Librar...
2024-07-30, 6416🔥, 1💬

💬 2024-07-30 hjkbyi: 174076 -OEChem-07302401143D 19 19 0 0 0 0 0 0 0999 V2000 -0.6643 0.0918 -0.2806 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 -0.2071 0.0377 ...

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, 6320🔥, 0💬

Molecule FYI-1002049
Molecule Summary: ID: FYI-1002049 Names: InChIKey: HEFNNWSXXWATRW-SNVBAGLBSA-N SMILES: CC(C)Cc1ccc([C@@H](C)C(=O)O)cc 1Received at FYIcenter.com on: 2023-01-24
2023-01-24, 5813🔥, 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, 5752🔥, 0💬

cactus.nci.nih.gov/translate - Convert to/from SDF
What is cactus.nci.nih.gov/translate SDF translator? pubcactus.nci.nih.gov/translat eSDF translator allows you to translate SDF files from and to other types of files, including SMILES, SD, MOL, etc. SDF Online Tool - pubchem.ncbi.nlm.nih.gov   For more information, visit cactus.nci.nih.gov/translat...
2021-02-02, 5624🔥, 0💬

RXN - Reaction File Format
What Is RXN file format? RXN, stands for Reaction, is a reaction file format extended from the MDL Molfile format for molecules. RXN is also called MDL Rxnfile or RDF (Reaction Data File). There are 2 versions of RXN formats that are used by chemical software. 1. MDL RXN V2000 - Extended from the SD...
2024-08-14, 5510🔥, 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" ...
2021-02-17, 5348🔥, 0💬

What Is Isomer
What is Isomer? An Isomer is molecule that has the same the same chemical formula as another molecule, but with a different molecule structure than the other molecule. There are several types of isomers: 1. Constitutional Isomers - Isomers that differ in connectivity are called constitutional isomer...
2020-08-03, 5334🔥, 1💬

Download and Install Ketcher in Standalone Mode
How to Download and Install the latest version of Ketcher in standalone mode? Ketcher can be installed in 2 modes: Standalone and Remote. The Standalone mode incorporates Indigo backend services in the Ketcher build. It allows for Ketcher to work in browser with no server and even without the Intern...
2023-12-17, 5321🔥, 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, 5292🔥, 0💬

Download and Install JSME
How to Download and Install the latest version of JSME? You can follow this tutorial to download and install the latest version of JSME. 1. Go to JSME Download Website . 2. Click "JSME_2022-09-26.zip" to download the latest version. 3. Save the download file as "JSME_2022-09-26.zip". 4. Unzip "JSME_...
2020-05-18, 4960🔥, 0💬

Molecule FYI-1000049
Molecule Summary: ID: FYI-1000049 SMILES: Received at FYIcenter.com on: 2020-05-18
2020-05-18, 4944🔥, 0💬

Molecule FYI-1002051
Molecule Summary: ID: FYI-1002051 Names: InChIKey: GACQNUHFDBEIQH-HNNXBMFYSA-N SMILES: Cc5ccc(c2ccc1ncc4c(c1n2)n(C3CC N(C(=O)[C@H](C)O)CC3)c(=O)n4C) cn5Received at FYIcenter.com on: 2023-01-24
2023-01-24, 4936🔥, 0💬

ketcher.getSmiles() and ketcher.getSmarts()
How to export the chemical structure in SMILES and SMARTS formats from the Ketcher with the ketcher.getSmiles() and ketcher.getSmarts() methods? To export the chemical structure (molecule, reaction, or substructure pattern) in SMILES and SMARTS formats from the Ketcher, you can use the getSmiles() a...
2023-12-10, 4923🔥, 0💬

"babel -h" Command - Add Hydrogens to Molecule Data
How to add hydrogen atoms to molecule data during data conversion? Most molecules contains many hydrogen atoms. When molecules are written in many data formats, those hydrogen atoms are removed. We normally can read molecule structure without hydrogen atoms. But if you want to add those removed hydr...
2020-07-15, 4883🔥, 0💬

Molecule FYI-1002050
Molecule Summary: ID: FYI-1002050 Names: MOTRIN; ADVIL; IBUPROFEN; InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O Received at FYIcenter.com on: 2023-01-24
2023-01-24, 4854🔥, 0💬

Scaling SVG Images using "viewBox" Attribute
What is the meaning of the &lt;svg viewBox="..." ...&gt; attribute? I want to understand how it is used to scale up the image. The &lt;svg viewBox="..." ...&gt; attribute defines view box properties which work together to scale and translate a SVG image. View Port Properties - Specif...
2020-08-03, 4849🔥, 1💬

Molecule FYI-1000048
Molecule Summary: ID: FYI-1000048 SMILES: Received at FYIcenter.com on: 2020-05-18
2020-05-18, 4832🔥, 0💬

Molecule FYI-1001179
Molecule Summary: ID: FYI-1001179 SMILES: Oc1cc(O)c(C(=O)CCc2ccc(O)c(O)c 2)c(O)c1Received at FYIcenter.com on: 2022-02-21
2022-04-21, 4805🔥, 0💬

Molecule FYI-1004623
Molecule Summary: ID: FYI-1004623 Names: InChIKey: BBIFXVHLVDNVGO-DXNYSGJVSA-N SMILES: C/C=C(Nc1ccc(O)c(N)c1)\\O\\N=C (N)\\c2cc(C)on2Received at FYIcenter.com on: 2023-09-15
2023-09-23, 4781🔥, 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 ...
2020-04-16, 4779🔥, 0💬

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