It is probably unrelated and not the case any more but in the past I have
had issues with line breaks format with certain files from the PDB. So I
needed to use dos2unix (in your case it would be unix2dos). Another similar
problems had to do with exotic (like old Windows) character encodings (I do
Thank you ALL:
Instead of a Du issue, the problem comes from APPCrash problem
(c005; 1892). It only occurs when encountering specific files, but
not every files. Has temporally solved the problem by converting in another
computer. Using sfc /scannow shows no problem and will try to fig
Hi,
"Du" stands for Dummy atom. It has of course no associated atomic number.
Either edit the molecules containing Du atoms by deleting them or changing
Du to a valid atom type, or do not convert these molecules at all.
I guess that, perhaps, obabel could just skip the molecules containing Du
ato
Dear all:
When using the babel to covert a mol2 dataset to pdbqt dataset, the
program was crashed in the middle when encountering a compound for some
reason (showed in below). The error message shows that " Open Babel
Warning in OpenBabel ::OBElementTable::GetAtomicNum Cannot understand the
