[phenixbb] elbow, how to get partial charges in mol2 output file?

Florian Nachon mailinglist at nachon.net
Tue Aug 5 08:05:25 PDT 2014

Dear phenixbbers,

The partial charges are not written in mol2 output files generated by elbow. Is there any way to change that behavior?
Probably by editing tripos_mol2_writer.py?

Thanks for helping.


La chance ne sourit qu'aux esprits bien préparés. Louis Pasteur

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