File: ions.list

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# List of ions (PDB file residue/atom names) and their charges used in PropKa
#
MG   2 #Magnesium Ion
CA   2 #Calcium Ion
ZN   2 #Zinc Ion
NA   1 #Sodium Ion
CL  -1 #Chloride Ion
MN   2 #Manganese (ii) Ion
K    1 #Potassium Ion
CD   2 #Cadmium Ion
FE   3 #Fe (iii) Ion
SR   2 #Strontium Ion
CU   2 #Copper (ii) Ion
IOD -1 #Iodide Ion
HG   2 #Mercury (ii) Ion
BR  -1 #Bromide Ion
CO   2 #Cobalt (ii) Ion
NI   2 #Nickel (ii) Ion
FE2  2 #Fe (ii) Ion