Atom Biology General Molecule Tools Trial Virus

<< < 1 2 3 4 5 6 7 8 … > >>   Sort: Date

JSME JavaScript API
Where to find FAQ (Frequently Asked Questions) on JSME JavaScript API? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on JSME JavaScript API. What Is JSME JavaScript API JSApplet.Inchi.computeInchi() - Generate InChI Save Molecule from JSME to Se... 2020-05-18, 1126👍, 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, 1125👍, 0💬

Open Babel Options on SDF/Mol Files
What options are offered in Parity Code to support stereoinformation in SDF/Mol V2000 and V3000 files generated by Open Babel? Here is the documentation of Open Babel 2.4.1 with options listed to support stereoinformation in SDF/Mol V2000 and V3000 files: fyicenter$ obabel -V Open Babel 2.4.1 -- May... 2021-03-07, 1102👍, 0💬

Constitutional Isomer Example
What are examples of Constitutional Isomers? The picture below gives an example of Constitutional Isomers: Constitutional or Structure Isomers The molecule on the left is N-Butane, also known as Normal Butane, which is a flammable, colorless, mostly nontoxic gas with a natural gas odor. The molecule... 2020-08-03, 1087👍, 1💬

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, 1074👍, 0💬

Loading JSME JavaScript in "body"
Can I load JSME JavaScript code in HTML "body" element instead of "head"? Yes, you can load JSME JavaScript code in HTML "body" element instead of "head" 1. Create a new HTML document, load-JSME-in-body.html, with JSME loaded in the "body" element: &lt;html&gt; &lt;head&gt; &lt;t... 2020-05-18, 1065👍, 0💬

What Is Formal Charge
What is Formal Charge of an atom in a molecule? And what is the total formal charge of a molecule? The formal charge of an atom in a molecule is defined by the formula below: Fc (Formal charge) of atom = Ve - Ue - Be/2 where: Ve = number of valence electrons Ue = number of unbonded electrons Be = nu... 2020-05-29, 1061👍, 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, 1058👍, 0💬

Show InChI and InChIKey on JSME
How to display the InChI string and InChIKey of the molecule in JSME editor? JSME does not offer any API methods to export the InChI string and InChIKey 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. Ru... 2020-05-18, 1049👍, 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, 1040👍, 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, 1035👍, 0💬

Trapezoidal Approximation PK AUC in SAS
How to perform Trapezoidal Approximation PK AUC in SAS? Example 1: Trapezoidal Approximation PK AUC in SAS presented in "Using Trapezoidal Rule for the Area Under a Curve Calculation" by Shi-Tao Yeh. The trapezoidal rule is a numerical integration method to be used to approximate the integral or the... 2022-10-01, 1026👍, 1💬

💬 2022-02-02 RP: Need to understand

Stereoinformation in SDF/Mol V3000 Files
How Stereoinformation is stored in in SDF/Mol V3000 files? Similar to SDF/Mol V2000, stereoinformation can be stored in SDF/Mol V3000 files in 3 ways: 0D, 2D, and 3D. 0D: Stereoinformation in 0 dimension is defined by parity at atom lines as "CFG=n" options. 2D: Stereoinformation in 2 dimension is d... 2021-02-06, 1026👍, 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, 1006👍, 0💬

Rotamers Example
What are examples of Rotamers? The picture below gives an example of Rotamers: Stereoisomers &gt; Diastereomers &gt; Conformational &gt; Rotamers   ⇒ Molecule Presentation and Identification ⇐ Enantiomers Isomer Example ⇑ Introduction to Molecules ⇑⇑ Molecule FAQ 2020-07-07, 997👍, 0💬

PyMol Screen Layout
What information is displayed in each area on PyMol Screen? Once PyMol is started, you should see two windows displayed: External GUI - A Graphical User Interface window with the following areas: 1. Output message area - An area where output messages are displayed. Initially, the output area display... 2020-08-03, 992👍, 1💬

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, 976👍, 0💬

Molecule Online Tools
Where to find FAQ (Frequently Asked Questions) on molecule online tools? I want to use them to create and visualize molecules. Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on molecule online tools. Molecular Formula Validator and Parser Molecul... 2020-04-16, 969👍, 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, 956👍, 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, 931👍, 0💬

Install JSME on Apache Web Server
How to install JSME on an Apache 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_nnnn-nn-nn" s... 2020-05-18, 925👍, 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, 893👍, 1💬

"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, 882👍, 0💬

List of Open Babel Commands
How many command line tools are provided in the Open Babel package? By default, Open Babel package provides the following command line tools: babel (obabel) - Convert chemistry and molecular modeling data files. obchiral - Print molecular chirality information. obconformer - Generate conformer coord... 2020-11-22, 878👍, 0💬

<< < 1 2 3 4 5 6 7 8 … > >>   Sort: Date

Atom Biology General Molecule Tools Trial Virus