Biotechnology1370

HADDOCK
1

why when work with haddock its error show?

Your prediction FAILED

Error message: PDB file contains multiple chains with overlapping numbering: A237 - B237
If this message is unclear, please contact a.m.j.j.bonvin@uu.nl

Full error message:emphasized text
Traceback (most recent call last):
File “./cportdaemon.py”, line 48, in
pdb = conversion.validate_pdb(pdbs[0], form.pdb.chain)
File “/home/enmr/services/CPORT/cron/conversion.py”, line 52, in validate_pdb
raise HaddockValidationError("%s contains multiple chains with overlapping numbering: %s%s - %s%s" % (dataname,firstchain, resnr.strip(), currchain, resnr.strip()))
ValueError: PDB file contains multiple chains with overlapping numbering: A237 - B237

PDB file contains multiple chains with overlapping numbering: A237 - B237

2

Hello Mohammad,

As it is reported, you need to have a unique numbering within a single molecule, even with multiple chains. So you might want to renumber your second chain, starting from the last residue ID of the 1st chain + 1.