On Wed, Sep 16, 2015, ankita mehta wrote:
>
> it should distinguish between three gdps on the basis of different chains
> A, B , C ......and i figured out there are 274+274+274=822 residues in
> chain A,B and C ...so rseidue 823 is the first GDP only.......
For historical reasons, Amber's pdb parsers don't make full use of chainIDs.
In the rest of the structure (I'm guessing), the three chains are separate.
This means that GDP's are the only place where a new residue begins that
has the same residue name and residue number as the previous residue (i.e.,
differs only in chain ID.) A change in residue name or residue number is the
trigger for LEaP to recognize the end of an old residue and the beginning of a
new one. (A change only in chainID is not enough; this is a bug, but not one
that people run into very often.)
>
> while inserting TER card it returned the same error!
I'll have to take your word for this, although I am surprised that this
happens.
....dac
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Received on Wed Sep 16 2015 - 12:30:03 PDT
