Turns out that the call was redundant. Obviously left dangling after a refactor.
The odd thing is that this happens only when PDBScan believes that the sequence in the header completely matches that in the coordinates. Meaning that in the working cases it finds some difference. I haven't looked into this too much but it is odd.
Just seen all thee odd changes I have pulled in relative to your master. None of them are needed.
Fix for issue #95.
Turns out that the call was redundant. Obviously left dangling after a refactor.
The odd thing is that this happens only when PDBScan believes that the sequence in the header completely matches that in the coordinates. Meaning that in the working cases it finds some difference. I haven't looked into this too much but it is odd.
Just seen all thee odd changes I have pulled in relative to your master. None of them are needed.