Re: [AMBER] query

From: David A Case <david.case.rutgers.edu>
Date: Wed, 16 Sep 2015 10:02:35 -0400

On Wed, Sep 16, 2015, ankita mehta wrote:

> Actually , residue 823 is the GDP ..AS There are three chains in the
> structure so there are three GDPs in the Pdb file...they are rsidue 823 ,
> 824 and 825... Problem is leap is recognizing one of them only.

Examine the PDB file carefully around the GDP residues. Somehow, leap
thinks that all three GDPs are in the same residue: do they really have
different residue numbers? You might insert a TER card between the three
copies to make sure that they are separate. If you can't figure it out,
you will have to post that portion of the PDB file.

...dac


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Received on Wed Sep 16 2015 - 07:30:03 PDT
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