Hi there, I'm new in Virtual screening world and excuse me if the answer sound silly.
ok...I'm trying to get the atoms properties of a certain molecule (in attachment) by using PMAPPER. I've used the example pharma-calc.xml and so I obtained as result: r;r;r;r;r;r;a/d;;a;a;h;d;a;h;r;r;r;r;r;r;;a;a;d. As you can see there are two blanks in the result. The question is: why did I get a blank result? The atom 21, as instance, is a sulfur bonded to 4 atoms (C,N,O,O). Can I map a configuration to address this problem?