[Chimera-users] failure to add-H to quaternary C

Francesco Pietra chiendarret at gmail.com
Mon Jun 5 00:15:38 PDT 2017


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
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