Hello, I am minimising a few protein-ligand complexes with smina. In the pdbqt files produced by smina the residue name information for the binding site residues is lost. If I try to convert the file to other formats with OpenBabel, it does not recognise/reassign the residue names. I was wondering if there is a way to tell OB that the system contains polypeptides.
Best regards, Miro -- View this message in context: http://forums.openbabel.org/Residue-name-assignment-tp4659239.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Transform Data into Opportunity. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Click to learn more. http://pubads.g.doubleclick.net/gampad/clk?id=278785471&iu=/4140 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
