[phenixbb] Residue number error after autoMR or PhaserMR

Nathaniel Echols nechols at lbl.gov
Wed Apr 20 11:06:27 PDT 2011


On Wed, Apr 20, 2011 at 9:33 AM, Zhang yu <phenixzyfish at gmail.com> wrote:
> When I run MR in Phenix, I found that there is a numbering error in the
> solution PDB file
>
> The error is that Phenix numbers residues from 0 again when the residue
> numbers are over 999, though they belong to the same chain.
>
> For example
>
> ATOM  11513  NE2 HIS   C 999     -35.122  54.953  55.285  1.00 69.80           N
> ATOM  11514  N   MET    C   0     -36.544  51.378  60.309  1.00 64.17           N
> ATOM  11522  N   VAL     C   1     -37.840  53.015  63.272  1.00 69.46           N
>
> Does anyone has idea about it?

Phaser has its own PDB parser, and it looks like it only reads
characters 2-4 in the residue number.  This sounds like a bug, but
there may be some reason for it - we'll check this out.

-Nat


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