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Further Compare-/ Analysis-functions

Compare Rings

This option compares compounds that are identical with the exception of the fragment (ring) you specify

The rings to be compared:
Compare Rings

one pair of molecules from the list of results.
Compare Rings 1

Analysis of Comparison

After a successful comparison the pairs of molecules can be further analysed by the 'Analyse Comparison' option. Pairs of molecules will be analysed with regards to their phase behaviour.

The following example refers to the comparison of the two rings above. The comparison will be run for the smectic phase and as the 'Family search of phases'-box is checked, will include all types of smectic phases.
Analyse Comparison

After clicking 'OK' you'll be presented with a graph where each circle represents a pair of molecules.
Analyse Comparison 1

Further possibilities to compare molecules are:

  • Compare Bridges
  • Compare Fragments
  • Compare Line Notation