[Dock-fans] error when running GRID

Sebastien Gerega sger3477 at mail.usyd.edu.au
Wed Apr 27 18:41:51 PDT 2005


I have a PDB file which I have converted to .mol2 using Babel. When
attempting to run GRID with this .mol2 file I get the following error:

WARNING read_mol2: Improper ATOM record substructure id for chainb.pdb in
chainb.mol2.
Error reading in receptor.

The .mol2 file starts like this:

@<TRIPOS>MOLECULE
chainb.pdb
 783 801 0 0 0
SMALL
GASTEIGER
Energy = 0

@<TRIPOS>ATOM
      1 N         -30.0240   -7.4760   -1.8710 N.am   24  ASN     -0.1225
      2 CA        -28.6440   -8.0580   -1.8730 C.3    24  ASN      0.1785
      3 C         -28.0090   -7.9270   -0.4840 C.2    24  ASN      0.2597
      4 O         -27.9220   -6.8240    0.0690 O.2    24  ASN     -0.2718
      5 CB        -27.7870   -7.3380   -2.9260 C.3    24  ASN      0.1169

Can anyone see anything wrong with this? Or give me more insight into what
the problem is?
thanks,
Sebastien Gerega

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