I answer myself. New OpenBabel 2.3.0 is able to process .pdbqt files, so what I wanted is now as simple as $ babel -ipdbqt file.pdbqt -osdf newfile.sdf
after upgrading my OpenBabel installation. However, it would still be interesting to have the option to save the individual pdb for each pose from the toGroup script. Regards, Ramiro Téllez Sanz Dept. Physical Chemistry University of Almeria Almeria, Spain ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
