ADL: dpf file

Yang Ye leafyoung at yahoo.com
Tue Jun 12 08:39:01 PDT 2007


Upgrade to 1.4.5?

--- JIANG Ming <jming at ust.hk> wrote:

> MGL tolls-1.4.4 and autodocktools_1.4.3.
> 
> > ADT's version? 1.4.5?
> >
> > On 6/12/2007 10:12 PM, JIANG Ming wrote:
> >> thanks for your suggestion, Yang Ye. Actually I
> have tried that, but
> >> the results were the same except the warning is
> is hsg1.pdbqt must be
> >> a pdbqs file for autodock3.
> >>
> >> ming
> >>
> >>
> >> .> On 6/12/2007 6:28 PM, JIANG Ming wrote:
> >>
> >>>> Hi,all:
> >>>> I am new to the auto docker. The software i am
> using is autodocker4.
> >>>> I tried to practice according to the tutorial:
> using autodock4 with
> >>>> autodocktools. Once I came to prepare the
> docking parameter file,
> >>>> the first problem is when I came to this step:
> >>>> Docking-Macromolecule-Choose...I chose hsg1,
> >>>>
> >>> Pick the PDBQT you prepared earlier.
> >>>
> >>>> but the warning is hsg1.pdb
> >>>> must be a pdbqs file for autodock3. because I
> use atodocker4, I
> >>>> neglect it. So the problem came out. When:
> Docking-output-lamarckian
> >>>> GA, warning came out: You must choose a
> macromolecule before writing
> >>>> dpf. I do not know where I was wrong.
> >>>>
> >>>> Any sugestions will be appreciated. T
> >>>> hanks,
> >>>>
> >>>> ming
> >>>>
> >>>>
> >>>>
> ________________________________________________
> >>>> --- ADL: AutoDock List  ---
> >>>>
> http://www.scripps.edu/pub/olson-web/doc/autodock/
> ---
> >>>>
> >>>>
> >>>>
> >>> ________________________________________________
> >>> --- ADL: AutoDock List  ---
> >>>
> http://www.scripps.edu/pub/olson-web/doc/autodock/
> ---
> >>>
> >>
> >>
> >>
> >>
> >
> > ________________________________________________
> > --- ADL: AutoDock List  ---
> > http://www.scripps.edu/pub/olson-web/doc/autodock/
> ---
> 
> 
> 



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