how to address blank values in pmapper results

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?

Thanks

Hi,

 

Blank means that the given atom belongs to none of the pharmacophore classes defined in the config.

 

Regards,

Gabor

 

gimre wrote:

Hi,   Blank means that the given atom belongs to none of the pharmacophore classes defined in the config.   Regards, Gabor

Thanks. For now I think it is enough.