Prev | 17.2 Standardize Table | Next |
NOTE: Before standardizing a chemical you may want to make a copy of the original so you do not lose any information. You can do this by right clicking on the name tab of the table and selecting clone or save as. |
To remove salts, explicit hydrogens and standardize groups in a chemical table:
Standardize chemical groups will apply rules from ICMHOME/CHEMNORMRULES.tab For example some chemical groups may have different representations e.g. [N+] (=O)O versus N(=O)=O
To run in batch mode:
To remove a salt from an individual row in a chemical table:
Prev Calculate Properties | Home Up | Next Annotate |