[modeller_usage] Crash in libmodeller.dll using PDB 6G2J

[dms305 <>]

Hi,

I am using the Modeller Python interface to calculate secondary structure and surface accessibility for a number of PDB files. Whilst it works well for most PDBs, there is a crash in libmodeller.dll when using PDB 6G2J which cannot be caught by Python, i.e. the program simply exits with an AppCrash observed in the Windows Event Viewer.

My approach is to generate a completed PDB model using the modeller.scripts.complete_pdb function, followed by the model.write_data function method with ‘PSA’ and ‘SSM’ separately.

Please can you help me to resolve this issue? Let me know if you need any additional information to be able to reproduce the crash.

Thanks in advance,

Daniel