Chemical structures

• Structure Types

• Image Options

• MarvinJS Options

Structure Types

Six structure types are available:

• Single Structure (default)

• Mixture

• Formulation

• Alternate

• Polymer

• No structure

The structure types, except the Single Structure, can be configured to be present in the Structure Type list located on the top left corner of the Structure Editor.

Configuration of the available Structure types

All the structure type names can be renamed after clicking the [Customize structure name] button.

Renaming Structure types

{info} Renaming a structure type. After the rename the original name will be always displayed.

Once a structure type is set to be "OFF" it will not be present in the Structure type list.

E.g. if only the Formulation structure type is "ON", the Structure Type list within the Structure Editor will contain the Single Structure and the Formulation.

Structure Editor with the list of the available Structure Types

Image Options

The administratior can set the generated structure image options considering the CST, the salts/solvates, the component Ids and mixture ranges (in case of multi-cmponent compounds). The settings will be applied instanteneously on the registered compounds. The image next to the settings serves only an illustration purpose.

The image generation options including an illustration

MarvinJS Options

Since version 21.3.0 when using MarvinJS as the default sketcher an option to disable exporting to any of the MDL V2000 formats, and to prevent users from setting the absolute chiral flag was added. By default this option is turned OFF.

Disable MDL V2000 export option