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3Dmol.js Bug - data-ui=true Impacts on Selection
Why is the default style done after removing data-ui="true" in the embedded 3Dmol viewer? There seems to be code bug in the 3Dmol.js library. Here is an HTML code example, Embedded-Viewer-data-ui-Bug.ht ml,that contains 2 embedded viewers: one with data-ui="true" and the other without data-ui="true"...
2023-02-03, 107👍, 0💬

Multiple Selections with Embedded 3Dmol Viewer
How to create multiple selections apply different styles with Embedded 3Dmol Viewer? In order to create a separate selection, you need add a suffix code to the "data-select" attribute name as "data-select{code}". Then other selection related attributes can use the same suffix code to refer to the se...
2023-02-03, 106👍, 0💬

Load Data by URL into Embedded 3Dmol Viewer
How to load data by URL into the Embedded 3Dmol Viewer? You can use "data-href" and "data-type" attributes on the DIV element to load molecule data from a URL into the Embedded 3Dmol Viewer. Here is an HTML code example, Embedded-Viewer-data-href.html ,that loads a Benzene molecule in SDF format wit...
2023-02-03, 107👍, 0💬

Load Data from Another HTML Element
How to load molecule data from another HTML element into the Embedded 3Dmol Viewer? You can use "data-element" and "data-type" attributes on the DIV element to load molecule data another HTML element into the Embedded 3Dmol Viewer. Here is an HTML code example, Embedded-Viewer-data-element.h tml,tha...
2023-01-31, 114👍, 0💬

UI Components of Embedded 3Dmol Viewer
What functions are supported by UI components on the Embedded 3Dmol Viewer? UI components on the Embedded 3Dmol Viewer support the following functions: 1. Model Data Input: Accessible through the first icon on the left. You can load PDB protein data from the online PDB database, or molecule compound...
2023-01-31, 109👍, 0💬

What Is Embedded 3Dmol Viewer
What Is Embedded 3Dmol Viewer? Embedded 3Dmol Viewer is a built-in 3Dmol viewer in the 3Dmol.js library. You can assign the Embedded 3Dmol Viewer to a DIV element in your HTML document using a special "class=viewer_3Dmoljs" attribute. Molecule data, display styles and other options can be specified ...
2023-01-30, 106👍, 0💬

Assign Embedded 3Dmol Viewer to DIV
How to assign Embedded 3Dmol Viewer to a "div" element? Here is an HTML code example, Embedded-Viewer-PDB.html, that assigns the Embedded 3Dmol Viewer to in "div" element. It also uses "data-*" attributes to load a protein from the PDB Websites, creates a selection from chain A and displays it in ca...
2023-01-30, 105👍, 0💬

Multiple Selections with Embedded 3Dmol Viewer
How to create multiple selections apply different styles with Embedded 3Dmol Viewer? In order to create a separate selection, you need add a suffix code to the "data-select" attribute name as "data-select{code}". Then other selection related attributes can use the same suffix code to refer to the se...
2023-01-30, 105👍, 0💬

$3Dmol Namespace and Static Methods
What is the GLViewer Class? $3Dmol is the top namespace of the $3Dmol.js library. It contains a sub-namespace, several classes and some static methods as listed below. Sub-namespaces : $3Dmol.GLDraw - Lower level utilities for creating WebGL shape geometries Classes : $3Dmol.GLModel - A group of rel...
2023-01-24, 113👍, 0💬

$3Dmol.download('pdb:...', ...) - Download PDB Protein
How to download PDB Protein Data with the $3Dmol.download() method? The syntax to download PDB Protein Data with the $3Dmol.download() method is shown below: $3Dmol.download("pdb:{PDB_ID}" ,viewer, options, callback) -> {$3Dmol.GLModel} viewer - The $3Dmol.GLViewer instance where the download...
2023-01-24, 112👍, 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, 121👍, 0💬

Open Babel Web Interface at cheminfo.org
Is there any Web interface available for Open Babel? I want to try it before installing it on my local computer. You can try Open Babel on the Web interface provided by cheminfo.org. 1. Go to http://www.cheminfo.org/Chemis try/Cheminformatics/FormatConv erter/index.html. You see the Web interface tha...
2023-01-24, 116👍, 0💬

openbabel.cheminfo.org/v1/convert - Web API
How to make a HTTP request to the Open Babel Web API at openbabel.cheminfo.org/v1/conv ert?You can call the Open Babel Web API at https://openbabel.cheminfo.org /v1/convertwith a HTTP POST request as shown below. 1. Use "curl" command to call the Web API to generate a 3D SDF file from a given SMILES...
2023-01-24, 114👍, 0💬

"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, 108👍, 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, 2364👍, 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, 122👍, 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, 118👍, 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, 109👍, 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) -> $3Dmol.GLViewer $3Dmol.createViewer(element, config) -> $3Dmol.G...
2023-01-11, 122👍, 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) -> {$3Dmol.GLModel} viewer - The $3Dmol.GLViewer instance where the downloaded pr...
2023-01-11, 113👍, 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) -> {$3Dmol.GLModel} Here is an HTML code example,...
2023-01-11, 110👍, 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, 129👍, 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, 121👍, 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, 179👍, 0💬

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