Property Copy

This option offers you to copy selected property fields from the reactant(s) to the product or reaction output file.

• Copy from :

  • Click on the field, and select the reactant having the property you would like to copy, or

  • Select Pattern if you want to define individually formatted property field.

• Property name :

  • Click on the field, and select the property you would like to copy to the output file(s), or

  • If you selected Pattern previously, you cannot make selection here.

• Copy as :

  • You can copy the selected property in a different name to the output file(s). Click on the field and rename it.

  • If you selected Pattern previously, define your individual property field according to the general pattern: "<propertyName>=[<text>*#{<moleculeID>.<propertyID>}]*<text>*"

• Example: My Property=The product of #{r1.smiles} and #{r2.name} is:

See the screenshot of the output file with the user defined reactant property field below: