CDD Vault Update (February 2023): Right-Clicking, Structure Flipping, Enhanced Stereochemistry and S-Groups in Ketcher

CDD Vault Update Logo
February 10, 2023

Right-Click Features

Easily access properties by right-clicking on an atom or a bond. See the full list of properties by clicking on “Edit…”.

Flip/Rotate Portions of a Molecule

The Ketcher Structure Editor allows you to flip/rotate a portion of a structure using the Rotate tool.

Enhanced Stereochemistry Button/Tool

The Enhanced Stereochemistry button has moved from Ketcher’s top menu bar to the left-side menu panel. You can also access this panel by right-clicking on an atom.

Defining S-Groups

Using data S-Groups to add certain labels (like atropisomer and override) to your structure is documented in the CDD Vault Knowledgebase. The use of these labels are helpful when registering atropisomers as separate Molecules, for example, that are currently considered duplicates without the data S-Group label. We’ve made the addition of these data S-Group labels a little more efficient since you no longer need to pre-select the atom, bond or fragment. Simply click the [s+] tool and then click the bond or select the fragment to display the data S-Group Properties dialog box.