Hello, is available an example about how to process pdqt files using a dlg input file
babel -L pdbqt One of the formats pdbqt -- Autodock Protein Data Bank (...) d Input file is in dlg (docking log file) format. With a dlg file generated by autodock4 (AutoDock 4.2.3), i retrieve the following error(s): (...) ============================== *** Open Babel Error in parseAtomRecord WARNING: Problems reading a PDBQT file Problems reading a HETATM or ATOM record. According to the PDBQT specification, columns 78-79 should contain the element symbol of an atom. but OpenBabel found ' 4' (atom 1) ============================== *** Open Babel Error in ReadMolecule WARNING: Problems reading a PDBQT file Problems reading a ATOM/HETATM record. ATOM 22 C LIG d 1 4.277 1.732 -5.179 -0.33 +0.00 -0.002 4.815 (...) Best regards ------------------------------------------------------------------------------ What You Don't Know About Data Connectivity CAN Hurt You This paper provides an overview of data connectivity, details its effect on application quality, and explores various alternative solutions. http://p.sf.net/sfu/progress-d2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
