carboxylate moiety

Hi,

 

how can I generate in msketch a carboxylate moeity -COO^- with the minus charge delocalized over the COO group. I generate -C(=O)(O^-) group and save as a mol2 file but I get an error License note found for charge plugin.

First question, is there a way to define a delocalized bond

Second question, I understood that I need an additional plugin but will this solve my problem.

Thanks for your answer

Hi,

For the first question: there is no delocalized bond in MarvinSketch yet. You can use single/double bond definition instead. but it will not solve the charge issue. For that you can create a generic group and select to display the charge on the bracket. (See attached file).

For the second question: if you have Charge plugin license, then the calculated charges will be saved in MOL2 format, otherwise the formal charges.

Best regards,

Akos