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

On 5 août 2014, at 19:48, Florian Nachon wrote:

In my configuration, partial charges were surprisingly not present despite the --opt flag. But, I was using PHENIX version dev-1539. Apparently, this bug was solved sometimes in between this earlier version and the last nightly :)

And for information, the bug is also present in the latest official 1.9 release (version 1692). Florian -- La chance ne sourit qu'aux esprits bien préparés. Louis Pasteur