
5 Jun
2017
5 Jun
'17
12:15 a.m.
pdbqt from autodock-vina -> pdb with chimera -> addH with chimera. Chimera fails (systematically) to add one H to a quaternary carbon of the diterpenoid. avogadro (which does not understand pdbqt) does the addH job correctly from chimera-savedpdb. Should Eric be interested, I could send (privately) the file best regards francesco pietra