Atom Biology General Molecule Reaction Tools Trial Virus

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"DNF/YUM install" - Open Babel Binary Packages
How to install Open Babel binary packages with DNF/YUM commands on CentOS systems? If you are running CentOS 8, you can follow this tutorial to install Open Babel binary packages: 1. Install "openbabel" package: fyicenter$ sudo sdf install openbabel Installed: openbabel-3.1.1-14.el8.x86_64 openbabel... 2023-01-24, 299🔥, 0💬

"-o svg -xd -d" Bug in Open Babel 3.1.1
Why "obabel ... -o svg -xd -d" is not able to remove hydrogens? It seems to be code bug in the "obabel" command in Open Babel 3.1.1 release. In Open Babel 3.1.1 release, options -xd and -d are not respected together for SVG output in the "obabel -i sdf -o svg -xC -xt -xP400 -xd -d" command. For exam... 2023-01-24, 257🔥, 0💬

JSME Tutorials
Where to find FAQ (Frequently Asked Questions) on JSME, Molecule Editor in JavaScript? I want to learn more about JSME. Here is a large collection of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on JSME, Molecule Editor in JavaScript: Introduction to JSME What I... 2023-01-18, 3579🔥, 0💬

JSApplet.Inchi.computeInchi() - Generate InChI
How to generate InChI and InChIKey with the JSApplet.Inchi.computeInchi() method? The latest version of JSME allows you to generate InChI and InChIKey from a given molecule in SDF format. Here are the steps you can follow to do this in JavaScript code: 1. Create an empty object called "JSApplet" and... 2023-01-18, 318🔥, 0💬

Examples Provided in JSME
Where to find more examples on using JSME? The JSME distribution package provides a number example on how to use JSME. If you open "./JSME_2022-09-26/index.html" in a Web browser, you see the following examples: JSME_minimal.html - minimalistic example how to incorporate JSME into a web page JSME_te... 2023-01-18, 317🔥, 0💬

Install JSME 2017-02-26 Version
How to download and install JSME? If you want to try JSME on your own computer, you can follow this tutorial to download and install it. 1. Go to JSME Website at https://www.peter-ertl.com/jsm e/. 2. Click "Download the JSME 2017-02-26" to start downloading. 3. Save the download file as "JSME_2017-0... 2023-01-18, 309🔥, 0💬

GLViewer Class and Instance Methods
What is the GLViewer Class? GLViewer, or $3Dmol.GLViewer, is a class in the $3Dmol namespace, that defines a WebGL-based viewer. There are 2 ways to instantiate a GLViewer instance: new $3Dmol.GLViewer(element, config) -&gt; $3Dmol.GLViewer $3Dmol.createViewer(element, config) -&gt; $3Dmol.G... 2023-01-11, 310🔥, 0💬

$3Dmol.download('cid:...', ...) - Download CID Molecule
How to download molecule by CID with the $3Dmol.download() method? The syntax to download molecule by CID with the $3Dmol.download() method is shown below: $3Dmol.download("cid:{CID}", viewer, options, callback) -&gt; {$3Dmol.GLModel} viewer - The $3Dmol.GLViewer instance where the downloaded pr... 2023-01-11, 295🔥, 0💬

addModel() - Add Model from Data
How to create a model from a molecule data string with 3Dmol.js addModel() methods? viewer.addModel() method in the $3Dmol.GLViewer class allows you to create a model from molecule data string: {$3Dmol.GLViewer} addModel(data, format, options) -&gt; {$3Dmol.GLModel} Here is an HTML code example,... 2023-01-11, 287🔥, 0💬

"pdb=..." - Load PDB Data in 3Dmol Viewer
How to load a protein structure with the PDB ID in the Online 3Dmol Viewer? You can use the pdb={PDB_ID} URL parameter to load protein data from https://www.rcsb.org/ in the Online 3Dmol Viewer. https://3dmol.org/viewer.html? pdb={PDB_ID}For example, enter the following URL in Web browser. You see t... 2023-01-06, 532🔥, 0💬

"style=..." - Specify Display Style in 3Dmol Viewer
How to specify display style in the Online 3Dmol Viewer? You can use the style={line|cross|cartoon|stic k|sphere}URL parameter to specify the display style for the selected substructures in the Online 3Dmol Viewer. https://3dmol.org/viewer.html? ...style={line|cross|cartoon|s tick|sphere}For example,... 2023-01-06, 351🔥, 0💬

Display Protein Structure with 3Dmol.js
How to display a protein structure with 3Dmol.js? You can follow these steps to display a protein structure by loading an online PDB file. 1. Get URL of the online PDB file: https://files.rcsb.org/downloa d/1YCR.pdb2. Create an HTML file, View-PDB-Online.html, with the following code. The PDB file l... 2022-12-26, 406🔥, 0💬

Play with Embedded 3Dmol Viewer
Where can I play with the Embedded 3Dmol Viewer? You can play with the Embedded 3Dmol Viewer below. Because there is a code bug in the 3Dmol.js library, you need to select "cid" to load a PDB protein, or select "pdb" to load a CID molecule.   x=1; Leave a message in the comment area, if you have any... 2022-12-26, 465🔥, 0💬

UI Bug in Embedded 3Dmol Viewer
Why am I not able to load a PDB protein on the Embedded 3Dmol Viewer UI? The current version of Embedded 3Dmol Viewer has a small code bug. It labels the dropdown list for data loading incorrectly. It labels PDB as "cid" and CID as "pdb". For example, if you select "pdb" and enter "1YCR", you will s... 2022-12-26, 281🔥, 0💬

addModel() - Add Model from Data
How to create a model from a molecule data string with 3Dmol.js addModel() methods? viewer.addModel() method in the $3Dmol.GLViewer class allows you to create a model from molecule data string: {$3Dmol.GLViewer} addModel(data, format, options) -&gt; {$3Dmol.GLModel} Here is an HTML code example,... 2022-12-26, 249🔥, 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... 2022-12-24, 1683🔥, 0💬

Difference between 3Dmol.js and 3Dmol-min.js
What is the difference between 3Dmol.js and 3Dmol-min.js? From code point of view, 3Dmol.js and 3Dmol-min.js are the same. But they are stored in different file formats: 1. 3Dmol-min.js is the minimized version of 3Dmol.js with all line breaks and other white spaces removed. 2. 3Dmol-min.js is 3 tim... 2022-12-24, 616🔥, 0💬

Display 3-D Molecule Structure with 3Dmol.js
How to display a 3-D molecule structure with 3Dmol.js? If you have a 3-D molecule structure stored in SDF format, you can follow these steps to load and display it with the 3Dmol.js library. 1. Create an HTML file, Display-Molecule.html, with the following code. The molecule's SDF data is hidden in ... 2022-12-24, 570🔥, 0💬

Getting Started with 3Dmol.js
Where to find FAQ (Frequently Asked Questions) on Getting Started with 3Dmol.js? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Getting Started with 3Dmol.js. What Is 3Dmol.js Library Use the Online Version of 3Dmol.js Library Install 3Dmol.js... 2022-12-24, 557🔥, 0💬

What Is 3Dmol.js Library
What Is 3Dmol.js Library? 3Dmol.js is an object-oriented, WebGL based JavaScript library for online molecular visualization - No Java required! With 3Dmol.js, you can add beautifully rendered molecular visualizations to your web applications. Main features of 3Dmol.js are: support for pdb, sdf, mol2... 2022-12-24, 419🔥, 0💬

Use the Online Version of 3Dmol.js Library
How to use the online version of the 3Dmol.js Library to draw a graphical object? I don't want to install the library locally. Yes, you can follow these steps to the online version of the 3Dmol.js library to draw graphical objects. The online version is located at https://3Dmol.csb.pitt.edu/bui ld/3D... 2022-12-24, 389🔥, 0💬

Install 3Dmol.js Library Locally
How to install the 3Dmol.js library locally on my own Web server? If you want use a local copy of the 3Dmol.js library, you can follow these steps. 1. Download a copy of the 3Dmol.js library: fyicenter$ curl https://3Dmol.csb.pitt.edu/bui ld/3Dmol-min.js&gt; 3Dmol-min.js 2. Create an HTML file, ... 2022-12-24, 336🔥, 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... 2022-12-15, 23177🔥, 2💬

💬 2022-12-15 Nio: Thank you for your detailed and clear explanation. It is very helpful and understandable.

💬 2022-10-01 Simpson: Interesting...

Read Stereoinformation from Input
How stereoinformation is being read from input data by Open Babel? Most molecule data files store stereoinformation in 3 ways: 0D, 2D, and 3D. 0D: Stereoinformation in 0 dimension is defined by parity (or chirality) at atom level. 2D: Stereoinformation in 2 dimension is defined by bond style as wedg... 2022-11-16, 730🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus