Understanding the Results of Electrostatics Calculations: Visualizing Molecular 'Isopotential' Surfaces
نویسنده
چکیده
• To learn more about actually performing the electrostatics calculation and loading the raw results (e.g., an OpenDX-formatted volumetric map) into, say, a PyMOL session (using PyMOL’s APBS plugin), one can visit http://dx.doi.org/10.1371/journal.pcbi.1000918 and click on “Video S2” – Electrostatics screencast (near the bottom; see ref [4] for more on this). Also, it would be a good idea to visit the APBS site, http://www.poissonboltzmann. org/apbs, and familiarize oneself with the underlying principles and practical usage of this software.
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تاریخ انتشار 2014