Re: [PyMOL] APBS values

2011-03-16 Thread Michael Zimmermann
I am replying since your question did not get addressed in the past, but know that I am not intimately familiar with PyMOL code or python. I do have a thought, though, if using a grid approximation would work. I have done some work with using MRC density map format in pymol, partly in anticipatio

[PyMOL] APBS values

2011-03-15 Thread Matteo Pendleton
I posed this question some while back and thought I'd submit it again as my question wasn't answered completely. Is it possible to have APBS spit out a list of values for points on the surface? I'd like to be able to quantitatively compare surface electrostatics of volumetrically identical protein