[Chimera-users] Guessing net charge

Miro Moman miromoman at gmail.com
Tue Mar 5 13:03:40 PST 2013


Hello,

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).

Best regards,

Miro Moman


-- 
http://www.e-moman.eu


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