[apbs-users] Electrostatic Potential - Mutated versus WildType Protein
Biomolecular electrostatics software
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From: Rohitesh G. <roh...@bu...> - 2014-05-14 05:30:07
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Hello everyone and Dr. Baker, I am using the tutorial for calculating electrostatic potentials on a protein using APBS tool. The end objective is to determine charge on a particular amino acid say "His" on mutating amino acid in its vicinity i.e E --> R. Many such mutation next to "His" needs to be tested and compared to the wild-type protein. I used apbs/ pymol and chimera but couldn't find way to extract charges/ potential on individual atoms or amino acids? Any clue how this could be done? Thank you in advance, Rohitesh |