Atom Biology General Molecule Reaction Tools Trial Virus

<< < … 3 4 5 6 7 8   ∑:179  Sort:Date

editor.struct().atoms - Get Atom List
How to get a list of atoms currently in the Ketcher editor with the editor.struct().atoms property? If you want to get a list of atoms currently in the Ketcher editor, you can use the editor.struct().atoms property on the Ketcher Editor interface. Here is an HTML document that shows you how to get a... 2023-12-01, 836🔥, 0💬

Call getSmiles() and getSmarts() Parallelly
Why do getSmiles() and getSmarts() methods return the same result, if they are called in 2 parallel promises? There seems to be a bug in Ketcher v2.11.0 release. If you call getSmiles() and getSmarts() methods one after the other, you are creating 2 promises The first promise seems to be overriding ... 2024-01-24, 833🔥, 0💬

Bond Type Codes in Ketcher File
What are bond type codes supported by Ketcher file? Ketcher file supports the following bond type codes: Single bond - "type": 1 Double bond - "type": 2 Triple Bond - "type": 3 Any bond - "type": 8 Aromatic bond - "type": 4 Single/double bond - "type": 5 Single/aromatic bond - "type": 6 Double/aroma... 2024-02-18, 828🔥, 0💬

Ketcher File Structure for Molecule
What is the Ketcher file structure for a molecule structure? To represent a single molecule in a Ketcher file, you need to include a referenced-object in the "nodes" array as shown below: { "root": { "nodes": [ { "$ref": "mol&lt;seq&gt;" } ] }, "mol&lt;seq&gt;": { "type": "molecule",... 2024-03-07, 805🔥, 0💬

Molecule with Substituted Functional Group
How to specify a S-Group (Substituted Functional Group) in a molecule structure in Ketcher file format? There are 2 options to specify a S-Group (Substituted Functional Group) in a molecule structure: 1. Specify S-Group without Group Substructure: Just replace the atom symbol at the s-group attachin... 2024-02-28, 789🔥, 0💬

Call getSmiles() and getSmarts() Chained
How to call getSmiles() and getSmarts() methods in 2 promises one chained to the other? Another way to avoid the bug mentioned in the previous tutorial is to call ketcher.getSmiles() and ketcher.getSmarts() methods in 2 chained promises. Chained promises use fulfilled and rejected handlers of the pr... 2024-01-15, 780🔥, 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, 769🔥, 0💬

Show InChI String on Ketcher
How to display the InChI string of the molecule in Ketcher editor? You can follow steps below to display the InChI string of the molecule in Ketcher editor. 1. Open Ketcher editor as shown in previous tutorial. 2. Select the "Benzene" button in the template toolbar at the bottom of the editor window... 2023-10-27, 745🔥, 0💬

Scaling Issue on Importing Ketcher File
Why is my reaction schema scaled badly when imported from the Ketcher editor UI? The Ketcher editor UI seems to have a code bug. When a reaction schema stored in a Ketcher file is imported from the editor user interface, atom locations and the reaction arrow may be scaled down or up when mapping to ... 2024-01-31, 699🔥, 0💬

Molecule Structure with Directed Bonds
How to specify a directed bond at a stereocenter in a molecule structure in Ketcher file format? You need to use the optional "stereo" property to specify a directed bond at a stereocenter in a molecule structure. For example: "stereo": 1 - for a upward bond "stereo": 6 - for a downward bond Note th... 2024-03-07, 667🔥, 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, 643🔥, 0💬

<< < … 3 4 5 6 7 8   ∑:179  Sort:Date

Atom Biology General Molecule Reaction Tools Trial Virus