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Reference Guide
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Protein Structure
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 Enumerate Formal Charge States
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Index
PrevICM User's Guide
6.15 Set Formal Charges
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Available in the following product(s): ICM-Chemist | ICM-Chemist-Pro | ICM-VLS

To set formal charge:

  • Read in a chemical spreadsheet File/Open SDF
  • Chemistry/Set Formal Charges
  • Enter the name of the chemical spreadsheet (table).
  • Choose the option to either make Charge, Make Neutral, or Charge according to ICM pKa Model
  • Select the groups you want to charge or neutralize.
  • The charges will automatically be added to your table.


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