[Chimera-users] Guessing net charge
miromoman at gmail.com
Tue Mar 5 13:03:40 PST 2013
When computing partial charges in Chimera, the user is prompted to
indicate the net charge of the "non-standard" residues. However, more
often than not, the suggested value is correct.
I would like to know how this guess is made and whether or not the net
charge of small organic molecules can be guessed in batch mode using
Chimera (or other tools).
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