[Dock-fans] can UCSF Chimera handle a negatively charged nitrogen

John J. Irwin jji at cgl.ucsf.edu
Mon Mar 9 12:37:35 PDT 2009


Hi Visvaldas

We look at sulfonamidates all the time in Chimera.  Can you describe the
problem you are having more precisely?

John
UCSF DOCK Team

Visvaldas Kairys wrote:
> Hi All,
>
> Is there a way in Chimera to handle negatively charged (deprotonated) amine? 
> There's no negatively charged nitrogen atom type in Chimera. An example of 
> such compound could be sulphonamides coordinated with zinc ion in carbonic 
> anhydrases.
>
> Visvaldas Kairys
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