
#Get PDB of Hemoglobin
wget "http://www.rcsb.org/pdb/cgi/export.cgi/1A01.pdb.gz?format=PDB&pdbId=1A01&compression=gz"
gunzip 1A01.pdb.gz

#Remove Hetero Atom (Water, Salt, etc)
egrep "^ATOM  " 1A01.pdb > 1a01-noions.pdb

#Convert PDB to XYZR
cd xyzr
pdb_to_xyzr ../1a01-noions.pdb > ../1a01-noions.xyzr
cd ..

#Compile Program
cd src
make vol
cd ..

#Calculate Solvent Excluded Volume
bin/Volume.exe -i 1a01-noions.xyzr -p 1.5 -g 0.5

#Same with output to PDB (view with rasmol)
bin/Volume.exe -i 1a01-noions.xyzr -p 1.5 -g 0.5 -o 1a01-excluded.pdb

#Same with output to MRC 
bin/Volume.exe -i 1a01-noions.xyzr -p 1.5 -g 0.5 -m 1a01-excluded.mrc
#View in UCSF Chimera: http://www.cgl.ucsf.edu/chimera/
chimera 1a01-excluded.mrc
