thank u professors!
On Thu, Sep 17, 2015 at 12:44 AM, David A Case <david.case.rutgers.edu>
wrote:
> 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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Sep 18 2015 - 08:00:04 PDT
