Atom Biology General Molecule Reaction Tools Trial Virus

<< < 1 2 3 4 5 6 7 8 … > >>   ∑:7170  Sort:Date

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, 1680🔥, 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, 1672🔥, 0💬

Introduction to SDF/Mol V3000 File Format
Where to find FAQ (Frequently Asked Questions) in understanding what is SDF/Mol 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 V3000 file format. What Is SDF/Mol V3000 File Format Tools for SDF/... 2022-07-26, 1662🔥, 0💬

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, 1654🔥, 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, 1607🔥, 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, 1585🔥, 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, 1583🔥, 1💬

💬 2022-02-02 RP: Need to understand

"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, 1563🔥, 0💬

Custom Wedge/Hash with SVG output
How to create a molecule structure with custom wedge/hash bonds? I don't like the default presentation of wedge/hash bonds. As shown in the previous tutorial, Open Babel has its own algorithm to detect stereo centers and decide which bond to presented as a wedge or hash bond. The resulting wedge/has... 2021-12-02, 1553🔥, 0💬

Search Molecule by Name
Can I search for a molecule by its name? Yes. You can search for a molecule by its name using the search tool prepared by FYIcenter.com. All you need to do is to enter a name, and click the "Submit" button below. If a molecule is found for the given name, it will be displayed below: Molecule found b... 2023-01-24, 1545🔥, 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, 1495🔥, 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, 1480🔥, 1💬

Molecule FYI-1000049
Molecule Summary: ID: FYI-1000049 SMILES: Received at FYIcenter.com on: 2020-05-18 2020-05-18, 1470🔥, 0💬

R/S (Right/Left) Hand Stereo Centers
Right/Left Hand Stereo Centers? In chemstry study, a stereo center a labeled as R (Rectus, Right in Latin) Hand or S (Sinister, Left in Latin) according to the following rules. 1. Assign precedence ranks to its 4 neighboring branches, as #1, #2, #3, and #4. Neighboring branch with #1 has the highest... 2021-12-02, 1469🔥, 0💬

chem.nlm.nih.gov ChemIDplus Database
What is chem.nlm.nih.gov ChemIDplus Database? chem.nlm.nih.gov ChemIDplus Database contains over 108,000 molecules. ChemIDplus is created from more than 100 sources. The core sources of substance records correspond to those substances that are cited in one or more of the National Library of Medicine... 2020-04-17, 1440🔥, 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, 1424🔥, 0💬

Molecule FYI-1000048
Molecule Summary: ID: FYI-1000048 SMILES: Received at FYIcenter.com on: 2020-05-18 2020-05-18, 1409🔥, 0💬

Molecule FYI-1000039
Molecule Summary: ID: FYI-1000039 SMILES: Received at FYIcenter.com on: 2020-04-21 2020-04-21, 1408🔥, 0💬

"babel -i sdf -o svg" - Custom Atom Positions
How to create a molecule structure with custom atom positions? You can create a molecule structure with custom atom positions using "obabel -i sdf -o svg" command as shown below. 1. Create a SDF file for your molecule structure. Take the L-Alanin-2D.sdf file used in other tutorials as an example. 2.... 2021-12-01, 1381🔥, 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, 1366🔥, 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, 1354🔥, 0💬

What Is PK R Package
What Is the PK R Package? The PK R Package is designed to perform all Non-Compartmental Analysis (NCA) calculations for Pharmacokinetic (PK) data. Functions provided in PK package: lee - Two-phase half-life estimation by linear fitting ci - Function to extract confidence interval(s) nca - Estimation... 2021-05-04, 1351🔥, 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, 1338🔥, 0💬

Molecule FYI-1000172
Molecule Summary: ID: FYI-1000172 SMILES: COc1cc(/C=C/c2cc(/C=C/c3ccc(O) c(OC)c3)[nH]n2)ccc1OReceived at FYIcenter.com on: 2020-10-06 2020-10-10, 1337🔥, 0💬

<< < 1 2 3 4 5 6 7 8 … > >>   ∑:7170  Sort:Date

Atom Biology General Molecule Reaction Tools Trial Virus