[modeller_usage] ordering of atoms in the PDB

Hello

I'm sure this is answered somewhere but I couldn't find it.

The ordering of atoms in a residue in Modeller output as in (a) is different from that usually seen in PDB files (b)

This is a problem when using the output in some other servers. Can the Modeller output be changed?

Thanks

Robin Stamler

Dept Molecular Genetics

University of Cincinnati

(a)

ATOM 1 N ALA B 1 10.145 12.378 3.667 1.00 25.81 1SG N+2

ATOM 2 CA ALA B 1 11.592 12.105 3.515 1.00 25.81 1SG C+3

ATOM 3 CB ALA B 1 12.225 11.817 4.886 1.00 25.81 1SG C+4

ATOM 4 C ALA B 1 11.834 10.932 2.631 1.00 25.81 1SG C+5

ATOM 5 O ALA B 1 11.538 10.968 1.437 1.00 25.81 1SG O+6

(b)

ATOM 586 N ALA A 86 -33.616 77.292 18.556 1.00 27.93 N

ATOM 587 CA ALA A 86 -34.153 76.748 17.311 1.00 27.40 C

ATOM 588 C ALA A 86 -33.329 77.134 16.085 1.00 27.32 C

ATOM 589 O ALA A 86 -32.386 77.921 16.172 1.00 25.96 O

ATOM 590 CB ALA A 86 -35.591 77.205 17.124 1.00 24.83 C