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I think pymol uses or can use apbs, which is probably pretty accurate - as far as you can call 'electrostatic surface potential calculation' accurate at all. Do people ever publish their solvent conditions used for the calculation when publishing their beautiful red/blue pictures - which anyhow usually come with blue and red flipped w.r.t. common sense...
Tim -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A On Thu, 4 Jan 2007, James Whisstock wrote:
*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** Hi Xu ccp4mg does a great job on surfaces and electrostatics and uses the similar energy calcs as GRASP (www.ysbl.york.ac.uk/~ccp4mg/ccp4mg_help/surfaces.html ). PYMOL also has a very nice surface rendering function, but the electrostatics is more rough and ready and comes with a bunch of disclaimers about its accuracy. J Xu TAN <[EMAIL PROTECTED]> wrote:>Hello everyone, Is there alternative program to GRASP that is proved-accurate and more user-friendly and OS-friendly? Thanks for your input ! Xu Tan University of Washington, Seattle-- Professor James Whisstock NHMRC Principle Research Fellow / Monash University Senior Logan fellow Department of Biochemistry and Molecular Biology Monash University, Clayton Campus, PO Box 13d, VIC, 3800, Australia +613 9905 3747 (Phone) +613 9905 4699 (Fax) +61 418 170 585 (Mobile)
