[Chimera-users] molecular surface el. potential data

Marek Maly marek.maly at ujep.cz
Sun Jul 3 15:22:57 PDT 2016


Hello,

Chimera has capability to color molecular surface by electrostatic  
potential (including solvent, ions effect) using data calculated on  
relevant volume grid (eventually saved in *.dx file) by apbs module.
My question is, is/could be possible simply to export el. potential values  
which are on the molecular surface (that which are using for surface  
coloring) to *.txt file for consequent processing - e.g. calculation of  
the average value of the el. potential on the molecular surface, standard  
deviation ... ?

    Best wishes,

         Marek

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