Hi Nathan,

thanks for your response. Yes, I will address this question to PyMOL mailing list.

Cheers!
 




De: "Baker, Nathan" <Nathan.Baker@pnl.gov>
Para: Ricardo O. S. Soares <ross_usp@yahoo.com.br>; "pdb2pqr-users@lists.sourceforge.net" <pdb2pqr-users@lists.sourceforge.net>
Cc: "apbs-users@lists.sourceforge.net" <apbs-users@lists.sourceforge.net>
Enviadas: Quinta-feira, 5 de Maio de 2011 17:41:00
Assunto: Re: [Pdb2pqr-users] APBS visualization issues

Hi Ricardo –

 

This question is probably best addressed to the PyMOL mailing list. 

 

The rate of change in the potential value (the speed of change in the colors) is related to the local field density and the local heterogeneity in charge distribution.

 

If you see parts of the protein left out of the calculation, then you should increase the grid lengths in the APBS/PyMOL dialog and perhaps re-examine the grid center settings.

 

Hope this helps!

__________________________________________________
Nathan Baker
Pacific Northwest National Laboratory
Tel:  509-375-3997

http://signatures.pnl.gov

 

From: Ricardo O. S. Soares [mailto:ross_usp@yahoo.com.br]
Sent: Thursday, May 05, 2011 1:23 PM
To: pdb2pqr-users@lists.sourceforge.net
Subject: [Pdb2pqr-users] APBS visualization issues

 

Dear users,

I'm having some trouble with APBS 2.1 visualization, if anyone can help me I'd be grateful.

There are positions in the protein where the blue converges slowly to white and then to red, and other which there are no gradation between blue and red. Why is that?

Also, sometimes within pymol the grid leaves a part of the protein out of the calculation, has anyone already seen it?

Thanks in advance!


Ricardo.