[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

Re: [PyMOL] hbs

2011-03-15 Thread Maia Cherney
Thank you, Marius. Yes, it does. Marius Retegan wrote: > Hello Maia, > > Does this work? > color black, hb* > > Marius > > > On Tue, Mar 15, 2011 at 5:40 PM, Maia Cherney > wrote: > > > Hi, > > Can anybody advise me what is the right command for selecting or >

Re: [PyMOL] movie with morph and electrostatics

2011-03-15 Thread Michael Lerner
If you know a bit of python, you can make a version of the Plugin that will do this via repeated calls to self.execute('Run APBS',refocus=False). If this would be a generally useful feature, I could add a movie button to the plugin so that it would step through all available frames, saving PNGs fo

[PyMOL] movie with morph and electrostatics

2011-03-15 Thread Ian Slaymaker
I am trying to figure out how to design a movie that will preform a morph between two conformations of a protein, while having each chain move as a rigid body, and recalculate the electrostatic surface for each midstate between conformations. Can anyone offer me some suggestions on how to do this?

Re: [PyMOL] hbs

2011-03-15 Thread Marius Retegan
Hello Maia, Does this work? color black, hb* Marius On Tue, Mar 15, 2011 at 5:40 PM, Maia Cherney wrote: > > Hi, > > Can anybody advise me what is the right command for selecting or > coloring many hbs? > > Instead of > color black, hb1 > color black, hb2 > etc > > I want something like color

Re: [PyMOL] hbs

2011-03-15 Thread Maia Cherney
Hi, Can anybody advise me what is the right command for selecting or coloring many hbs? Instead of color black, hb1 color black, hb2 etc I want something like color black, hb1+hb2+hb3 etc. Maia -- Colocation vs. Mana