[Chimera-users] how to add misiing proline between H2 and H3

Elaine Meng meng at cgl.ucsf.edu
Mon Nov 26 09:04:31 PST 2012


Hi,
It is not possible to answer questions like this on chimera-users because it is probably something specific about your structure.  You would need to instead use "Help... Report a Bug" in the Chimera menu, attach your input PDB file or Chimera session, include a full description of what you did, and your email address so that we would be able to respond.

Although the message says that the proline is missing some hydrogens, we don't know if you tried to add hydrogens in Chimera, or if you did try, why they weren't added, or if they were added, why they weren't recognized.
Elaine
----------
Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On Nov 26, 2012, at 7:23 AM, amna khan wrote:

> hi, i am new to chimera
>  
> when i minimize my pdb structure, it gives the following error
>  
>  
> The following residues had non-integral charges:
> 
> DA 1.D -0.3079
> 
> DA 19.D -0.6921
> 
> PRO 43.P 0.376
> 
> 1 model(s) had non-integral total charge
> 
> Details in reply log
> 
> Residue #0:43.P (PRO/proline) is missing atoms H_2 and H_3
>  
> i am not able to minimze the strcuture due ti this error , please help me how to remve this error
> 
> regards
> 




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