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One-liner: generating a CSV file of relative SASA of each residues via PyMOL
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| read -p "Input PDB:" pdb; pymol -ckd "cmd.load('${pdb}'); cmd.do('get_sasa_relative')" | grep "%" | sed -e 's;/; ;g' -e 's;`; ;g' -e 's;%;;g'| awk '{print $3 "," $4 "," $5 "," $6}' | awk 'NR==1{print "chainID,resname,resid,rSASA[%]"}1' > rsasa.csv |
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