assigning protonation states
- From: Luca Fenu <L.A.FENU..at..soton.ac.uk>
- Organization: university of southampton
- Subject: assigning protonation states
- Date: Thu, 13 Jan 2005 09:37:03 +0000
Dear CClers
I'm looking for some program able to automatically (and reliably)
assign
protonation states at Phisiological pH to small organic molecules,
preferably saved as mol2 files. As I can expect my boss ranting if he's
to shed any money for it, any freeware alternative would be more than
welcome. Any suggestion? many thanks
luca
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