ADL: not creating *_rigid.HD.map in Autogrid

Paola Lupieri paola.lupieri at gmail.com
Fri Feb 15 00:15:11 PST 2008


Hi!

I don't know if i have understood well: did you mean to dock two ligands
simultaneously to the protein? I'm not sure, but probably one cannot do that
in one step: you should dock one of them first, then create the pdbqt file
with the protein and the first docked ligand, and then dock the second
substrate to this complex.

Paola

On Fri, Feb 15, 2008 at 6:48 AM, Deepthi Rajagopalan <deepthi.86 at gmail.com>
wrote:

> Hey,
> Thanks a lot. I added the HD directly in my ligand file and it
> worked,Thanks
> for the link.
> Do you have any idea about docking two ligands to the protein?
>
> On Thu, Feb 14, 2008 at 11:07 PM, Paola Lupieri <paola.lupieri at gmail.com>
> wrote:
>
> > Hi!
> >
> > Maybe you can check the *gpf file: if autogrid didn't create the map,
> but
> > then autodock complains, probably the line 'map **_rigid.HD.map' is
> > missing
> > and you have to add it by hand (editing the file *.dpf). At least i had
> > the
> > same problem and  like this it worked with me...
> >
> > This is the link of autodock archives:
> >
> > http://autodock.scripps.edu/mailing_list/autodock_list
> >
> > Hope this can help!
> >
> > Paola
> >
> > On Thu, Feb 14, 2008 at 7:06 AM, Deepthi Rajagopalan <
> deepthi.86 at gmail.com
> > >
> > wrote:
> >
> > > Hi!
> > > could anyone give me the link whrere I could find all the mails of the
> > ADT
> > > list?
> > >
> > > My Autogrid seems to run fine .(but doesnt seem to create the
> > > "*_rigid.HD.map")
> > > When I run autodock I get an error which says
> > > ./autodock4: I'm sorry; I can't find or open "LUSH_DBP_rigid.HD.map"
> > > Why is it not getting created? any suggestions??
> > > please send the link containing the ADT mails--archive.It would be
> very
> > > helpful.
> > >
> > >
> > > --
> > > Regards,
> > > Deepthi
> > > ________________________________________________
> > > --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list---
> > >
> > ________________________________________________
> > --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
> >
>
>
>
> --
> Regards,
> Deepthi
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>


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