Standardizing Molecules

You are ready to start your standardization process if you have

  1. specified your input structures

  2. built your configuration from the desired actions.

In the standardization process, each molecule of your input file is passed through each Standardizer action. If a molecule contains structural parts that are relevant to the specified action, a modification occurs. The modified molecule is used then as the input of the subsequent action.

images/download/attachments/1803672/molecule_through_standardizer_actions.png

Consequently, some molecule are submitted to several modifications while other molecules may pass the actions without any changes.

images/download/attachments/1803672/unmodified_molecule.png

Every action that was executed on a given molecule is listed in the report that is generated in the end of the standardization process.

Nevertheless, the output molecules - altered or not - obey the requested chemical representation rules.

images/download/thumbnails/1803672/standardized_molecules.png