[chimera-dev] Adding a New Atom To AD4 parameter file

[Tram B. Danh]

To whom it may concern,
My name is Tram Danh, a student researcher under the Radiology Department
at UCI. I have encountered problems as I tried to run AutoDock Vina for a
structure with At (Astatine). The system said that the atom At was not
assigned or recognized.

I was told by an AutoDock member that At was not in the database so I would
need to derive the parameter for At myself. I followed instructions,
downloaded the default parameter file, and added At into that file. My
current problem is that I am unable to save it in the "*C:\Program
Files\Chimera 1.14\bin\Lib\site-packages\AutoDockTools*" without
administrator's permission. I've attached the picture below for
your reference.

Thank you for your assistance! I hope to hear from you soon!

Sincerely,
Tram Danh

[image: ADA_parameters.PNG]
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