[chimerax-users] Discrepancies in SASA values between chimera and chimeraX

Prathvi Singh prathvi at iitk.ac.in
Tue Feb 28 23:10:16 PST 2023


Hi Elaine,

I compared the SASA values generated by chimera and chimeraX for a few PDB
files and I noticed that whenever the SASA value of a residue is reported
to be zero by chimera, the same residue's SASA value is reported to be
-1.42 by chimeraX. Few examples are 18.A and 38.A of the PDB ID 1A62.

*Method used to calculate SASA of residues in chimera: *Tools > Structure
analysis > Render by attribute
*Method used to calculate SASA **of residues** in chimeraX: *I ran the
following commands: measure sasa protein;info residues attribute area

Why is this happening? Kindly help.

-- 
Prathvi Singh,
Research Fellow,
Department of Biological Sciences & Bioengineering,
Indian Institute of Technology, Kanpur-208016
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