[Open Babel] Add each ligand ID from a pdb file to mol2 file

Hello all: When doing pdb to mol2 conversion using openbabel. If there a way to add or append ID (ZINC ID) of each ligand from pdb file to mol2 file? Best regards, jrhaulung -- View this message in context: http://forums.openbabel.org/Add-each-ligand-ID-from-a-pdb-file-to-mol2-file

[Open Babel] Cannot understand the element label Du.

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

Re: [Open Babel] Cannot understand the element label Du.

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