Chemical structures¶

Structure Types
Image Options
Marvin Options

Structure Types¶

Six structure types are available:

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

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

Marvin Options¶

Starting with version 26.1.0, users can choose either Marvin or MarvinJS as the structure editor. When Marvin is used, for backward compatibility, the MUL to SRU conversion is used by default for structures with repeating units.


The MarvinJS compatibility option when Marvin is used as structure editor

We strongly recommend leaving the

MUL to SRU conversion for structures with repeating units on when using Marvin.

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