Re: [PyMOL] APBS Tools2 (v1.3) vs APBS Tools (v1.2r3) issue

2010-09-03 Thread Michael Lerner
Hi Nick, Could you send me a specific example of this happening? Feel free to email it to me off-list if you'd like. One thing I can think of off-hand is that the most recent version of the plugin defaults to using more memory for the electrostatics calculation, which can certainly make a differe

[PyMOL] APBS Tools2 (v1.3) vs APBS Tools (v1.2r3) issue

2010-09-02 Thread Noinaj, Nicholas (NIH/NIDDK) [F]
Hi, I have noticed an 'odd' behavior when calculating electrostatic surface potential representations between the APBS Tools (v1.2r3) and APBS Tools2 (v1.3) where the results are significantly different depending on which version of Pymol I use (recently upgraded to 1.3 and noticed this when re