[Chimera-users] Enquiry regarding electrostatics calculations of outersurface

Jian Chen chenj15 at fudan.edu.cn
Tue Apr 14 21:32:06 PDT 2020

Dear all Chimera users,
 Chimera has capability to color molecular surface by electrostatic potential using data calculated by apbs module, and the values could be exported into txt files using the surfval.py script.

 However, there are too many electrostatic potential values exported, and the number of values seems exceed that of atoms. 

 My question is, how to define a surface point whose electrostatic potential value whoud be calculated? I want to obatain the values of outersurface, how to screen out the values of outersurface of protein from them? 

 I would greatly appreciate your help.

 Best Regards,
       Jian Chen

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