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[modeller_usage] malign3d error with different structures but the same sequence



Hello Modellers users:

I want to analyze a set of PDB models, all with same sequence (84 Aa peptide) but different conformations (obteined by different methods). So I used the compare.py script from tutorial to do a first classification from structure but I get the error:

_modeller.ModellerError: fit2xyz_296E> Number of equivalent positions < 3:        0

I search this error, and most of the time is related to too different proteins that do not align well in sequence. But in my case all the protein are the same sequence!. Even I add a write step between malign() and malign3d() in the script so I see a perfect sequence alignment.

Some idea? could be the reason that some structures are too different?

Thanks!

Felipe Villanelo Lizana
Bioquímico
Laboratorio de Biología Estructural y Molecular
Universidad de Chile


"La curiosidad no mató al gato, sino que la falta de ella"