[Dock-fans] ligand -regding
Vinay Kumar
ksvinaykumar at gmail.com
Sat Dec 1 21:25:56 PST 2007
Hello dockers,
I would like to know,
1) why is it that only polar hydrogens are added in the macromolecule?
2) if we need to add all hydrogens (polar and non-polar) explicitly to
the ligand while a docking is performed? for ex- if the ligand is
phenol, do i have to draw the phenyl ring with CH2 explicitly shown,
or just use the ring structure provided by the drawing interface?
would like your thoughts,
regards,
Vinay
More information about the Dock-fans
mailing list