[Zinc-fans] beginner's question

[John J. Irwin]

Hi Sharon

Thanks for your email.

sshechte at bidmc.harvard.edu wrote:
> Hi John,
>
> OK, I have a beginner's question. I am using SCHRODINGER to generate a
> smile format of a molecule that I KNOW exists in the NCI's database.
> However, I get an empty results set, what might be the reason? 
To answer your question, I need to know more about how you are
performing the search.  Please give more details.

> The idea
> is to manipulate atoms of that molecule in order to find which ones are
> of crucial importance in binding my active site.
>
> Thanks
>
> Sharon
>
>