ADL: Autodock 3.05 under ADT 1.5.4

Tom Scior tscior at fz-borstel.de
Fri Mar 5 06:48:38 PST 2010


Hello Autodock users,
here is a question, if one wishes to use
Autodock 4.2 under AutoDockTools 1.5.4,
but not with flexible amino acid sidechains
of recpetors, yet using the scoring
functions and GALS etc. of the newest release,
which options may one have?
1) Switch to the AUTODOCK 3.05 option upon
launching ADT ?  Does this keep the new
scoring funtions of the AD4.2 release etc.
or does it work with the scoring - parameters of
the  old release AD3.05 ?
2) Switch to the AUTODOCK 4.2 option upon
launchng ADT and skipping the FLEXIBLE RESIDUES
preprations (HOW? the Tutorial does not say) or
3) Prepare one GLYCINE as the flexible amino acid
under AD4.2 (and follow the Tutorial UsingAutoDock4with) ?
Sorry for disturbing, but I could not find answer in
the documentation and Web.
Thank you, I appreciate your reply in advance
tom


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