The surface calculation is not meant for single atoms. Even if it did work on single atoms, the radius would not be appropriate because the H radius in Chimera program is only meant for H bonded to other atoms in the context of a molecule. You have to research for yourself the radius you think is correct for what you want to do, and then just use simple geometry to calculate the area of a sphere with that radius, or for that radius + 1.4 if you are trying to get some (very approximate) solvent-accessible surface. Google “area of sphere” to see the formula. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Oct 1, 2018, at 7:57 AM, 김민재 <kjh950429@gmail.com> wrote:
Hey everyone! I've been trying to calculate the solvent excluded surface area of a single hydrogen atom, but Chimera keeps returning an error "miscalc code 5" message whenever I run the "surface probeRadius" command. I would really appreciate anyone's help.