From: Edelmiro Moman (moman_at_titus.u-strasbg.fr)
Date: Wed Jul 12 2006 - 02:40:03 CDT
Most commercial packages include routines for adding counterions to a
biomolecule. But there are also a few free packages such as VEGA:
VEGA OpenGL (http://www.ddl.unimi.it)
You can also try a number of VMD plug-ins, other than Autoionize:
As you can see, the last two ones are in the NAMD website. If you do
some googling you are likely to find more stuff.
> Hi all,
> I want to add ions in my system other than sodium and pottasium as given in autoionize plugin manual. It (explicitly TCL SCRIPT) also says how to change different ions but i dont know what to do if i want to add HCO3-(bicarbonate ions) and moreover at a later stage if i want to add divalent ions. please help!!!
> Regards and thanks in advance...
> Harish Vashisth
> Graduate Student(Ph.D)
> CAT-361,Department of Chemical & Biological Engg.
> Drexel University, Philadelphia, PA
> office: 215-895-5823
-- Edelmiro Moman Institut de génétique et de biologie moléculaire et cellulaire Laboratoire de biologie et de génomique structurales 1, rue Laurent Fries F-67404 Illkirch Cedex FRANCE Tél. : +33 (0)3 88 65 3309 Fax : +33 (0)3 88 65 32 76 moman igbmc u-strasbg fr
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