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I'm getting the follow warning when reading a PDB file:
[main] WARN org.biojava.nbio.structure.io.BondMaker - Could not find atoms specified in SSBOND record: [SSBOND:
Atom 1:
Chain: I
Residue #: 24
Ins. Code:
Atom 2:
Chain: I
Residue #: 56
Ins. Code:
]
Looking at the code it seems that PDBFileParser::triggerEndFileChecks is being called before PDBFileParser::formBonds. The method triggerEndFileChecks calls assignAsymIds which changes the ID's of the chains and, then the method BondMaker::formDisulfideBonds can't find the chains of the SSBonds, since it has changed by assignAsymIds.
I will try to do a pull request to fix it, but before I need to know what is the best approach to fix it.
Hi,
I'm getting the follow warning when reading a PDB file:
Looking at the code it seems that
PDBFileParser::triggerEndFileChecksis being called beforePDBFileParser::formBonds. The methodtriggerEndFileCheckscallsassignAsymIdswhich changes the ID's of the chains and, then the methodBondMaker::formDisulfideBondscan't find the chains of the SSBonds, since it has changed byassignAsymIds.I will try to do a pull request to fix it, but before I need to know what is the best approach to fix it.
thanks.