Group Structure Section
Applicability: Cranium, Synapse (core versions 0315+)

The Group Structure section is a very important section for both Cranium and Synapse:

  • Property Estimation: techniques will use the structures entered into this to dissect molecular structures into groups.
  • Chemical Design: graphical and combinatorial chemical designs will use these structures to assemble the molecular structures of candidate chemicals.

The section contains a single large field.

Editing a Group's Structure

Clicking the left mouse button in the structure field's edit control activates the Group Structure edit dialog. The Structure Editing dialog enables you to quickly and easily draw, insert or import group structures. Use of the dialog is detailed in the Structure Dialog documentation.

Field's Commands Menu

Clicking the right mouse button within the structure field's edit control activates the field's commands menu.

The menu's commands enable you to copy, cut and paste group structures to and from the edit control. See Common Menu Commands for documentation on the commands commonly found on command menus. See below for documentation on this field's specific menu commands.

  • Copy Structure to Text: this menu contains two submenus
    • SMILES Notation: converts the entered structure into a SMILES string and then copies this string to the clipboard
    • Mol File Format: converts the entered structure into the contents of a mol file and then copies this text to the clipboard.
  • Write Text to File: converts the entered structure into the contents of a mol file and then writes these contents into a text file.
  • Copy Special: copies the group's structure as an image to the clipboard but first provides you with the options of changing atom and bond colors.
  • Form Formula: generates the chemical's formula and displays it in the Formula from Structure Dialog.
Related Documentation
Topic Description
Getting Started using Synapse provides a quick tour of Synapse's capabilities including examples of chemical product design.
Getting Started using Cranium provides a quick tour of Cranium's capabilities including a discussion of structure editing.
Estimating Chemical Properties a short video demonstrating how to estimate the physical properties of chemicals using either Synapse or Cranium.
Estimating Mixture Properties a short video demonstrating how to estimate the physical properties of mixtures using either Synapse or Cranium.