[Chimera-users] chimera minimization querry

Elaine Meng meng at cgl.ucsf.edu
Fri Oct 21 08:01:23 PDT 2016

On Oct 21, 2016, at 2:42 AM, Shumaila Khan <shumailakhan432 at yahoo.com> wrote:
> Hello,
> I am shumaila khan , M.phil student at Quaid-i-Azam University Islamabad, Pakistan. Attached File is my structure and I want to minimize it. But there occurs an error that "Residue #0.1:165.A (ALA/ alanine) should have either atom HN or H, but not both. Kindly please reply me asap and help me out.                                                                              
>                                                                                                                            Thanks

Dear Shumaila,
For future reference, you should use the chimera-users at cgl.ucsf.edu email address for questions.

For the minimization error, it is probably what the message says! 

I can only repeat the message:  the residue should not have both of those atoms that it mentions, so you would need to delete one of them.  
I hope this helps,
Elaine C. Meng, Ph.D.                       
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

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