[chimera-dev] Adding a New Atom To AD4 parameter file
Eric Pettersen
pett at cgl.ucsf.edu
Thu Aug 13 15:30:19 PDT 2020
Hi Tram,
You'll have to change the file/folder permissions for that file and/or containing folder to give yourself "write" permission. See the "File and Folder Permissions" section of this page for an explanation: How to Set File and Folder Permissions in Windows <https://www.online-tech-tips.com/computer-tips/set-file-folder-permissions-windows/>
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
> On Aug 12, 2020, at 4:47 PM, Tram B. Danh <tbdanh at uci.edu> wrote:
>
> 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
>
> <ADA_parameters.PNG>
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