[gmx-users] add missing atom(s)
zou.you at live.com
Tue Jun 1 07:29:43 CEST 2010
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.
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