Re: [phenixbb] Residue number error after autoMR or PhaserMR

On Wed, Apr 20, 2011 at 9:33 AM, Zhang yu 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