Residue name assignment

Previous Topic Next Topic
 
classic Classic list List threaded Threaded
1 message Options
Reply | Threaded
Open this post in threaded view
|

Residue name assignment

mirix
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