Mar 6, 2009

Adpative Poisson-Boltzmann Solver, APBS, continuum electrostatics

Need some electrostatics? Easy.

1. Load Molecule.

2. Goto Compute-->Electrostatics-->Compute Potential Using APBS

This will open a window with a lot of blue ink. When the scripts finish chugging, click OKAY and your molecule should have hydrogens added to it.



3. Goto Compute-->Electrostatics-->Map Potential to Surface
 

And there you go. Simple, right? You could make it harder if you want.
You could change the colors by double-clicking on the color scale-bar in you viewer. 

And there are plenty of other settings to play with along the way. The best way though, is to just use the standard settings, which will yield similar results as the other programs. That's the beauty of PMV, you can keep it simple, but you can also tweak the model ad nauseam if you wish.

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