[gmx-users] add missing atom(s)

[you zou]

Hi,Which tool(s) is/are useful? I don't have any idea for this problem.Thank you
you zou wrote:
> Hi again,
> 
> Sorry, in "REMARK 470" there is:
> 
> REMARK 470 
> 
> REMARK 470 MISSING ATOM 
> 
> REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; 
> 
> REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; 
> 
> REMARK 470 I=INSERTION CODE): 
> 
> REMARK 470 M RES CSSEQI ATOMS 
> 
> REMARK 470 SER A 2 OG 
> 
> REMARK 470 GLN A 678 CA C O &nbs
> p; CB CG CD OE1 NE2 
> 
> REMARK 470 SER B 2 OG 
> 
> REMARK 470 GLY B 679 CA C O 
> 
> This means there are missing atoms. Is it possible to add these atoms 
> from other residue what are SER and GLN and GLY?( Copy and Paste OG from 
> other SER for example?) I think after EM these are fixed, it is true?
> 

If you have several missing atoms you will have to use some external tool(s) to 
re-create these residues. Using cute tricks to build back one atom is easy 
enough, but re-creating a fragmented structure is much easier using tools 
designed for the task.

-Justin
 		 	   		  
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