ADL: autodock Digest, Vol 58, Issue 34

Alessandro Contini alessandro.contini at unimi.it
Tue Jun 30 07:33:18 PDT 2009


Hi Stefano,
thank you. Now it works perfectly.

Regards

Alessandro




Il giorno lun, 29/06/2009 alle 15.28 -0700, Stefano Forli ha scritto:
> Hi Alessandro,
> 
> the file in which you want to modify the MAX_MAPS is "autocomm.h" and it's located in the 
> AutoDock directory.
> 
> I hope this helps,
> 
> Stefano
> 
> 
> 
> Alessandro Contini wrote:
> > Hi Jose,
> > that's ok, but I didn't find wich is the source file to be modified.
> > 
> > Thank you
> > 
> > Alessandro
> > 
> > Il giorno dom, 28/06/2009 alle 20.20 -0500, jose correa ha scritto:
> >> Dear Contini
> >> You need to go to the code source and modify the file suggested, then, you
> >> need to configure again the Autodock.
> >> Best wishes
> >> J Correa-Basurto
> >> SEPI-ESM, IPN, Mexico
> >>
> >>
> >>
> >> 2009/6/27 <autodock-request at scripps.edu>
> >>
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> >>> Today's Topics:
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> >>>   1. Re:  maximum number of map (Bagdevi)
> >>>
> >>>
> >>> ----------------------------------------------------------------------
> >>>
> >>> Message: 1
> >>> Date: Sat, 27 Jun 2009 21:15:59 +0530
> >>> From: Bagdevi <bagdevi.mishra at gmail.com>
> >>> Subject: Re: ADL: maximum number of map
> >>> To: autodock at scripps.edu
> >>> Message-ID:
> >>>        <c1a055830906270845g106638b2x8c0fdbd8502ec6d2 at mail.gmail.com>
> >>> Content-Type: text/plain; charset=ISO-8859-1
> >>>
> >>> well, I do not know the answer, but i know a solution to deal the
> >>> situation, actually in my case, i edited the gpf , actually i made two
> >>> gpf with the same information except the map file information, and
> >>> included details about maps in two parts, one part in first file and
> >>> the other part in the second file. and using these two gpf files i ran
> >>> autogrid4 twice, that results all the map files needed by me.
> >>>
> >>> hope that helps you.
> >>>
> >>>
> >>>
> >>> regards
> >>> Bagdevi Mishra.
> >>>
> >>>
> >>>
> >>>
> >>> On Wed, Jun 24, 2009 at 9:56 PM, Alessandro
> >>> Contini<alessandro.contini at unimi.it> wrote:
> >>>> Dear Autodockers,
> >>>> I was wondering if anyone knows which is the source file of autogrid4 to
> >>>> be modified in order to increase the maximum number of allowed maps
> >>>> (i.e. the maximum number of ligand atom types). I did it with autogrid3
> >>>> by setting the MAX_MAPS keywords , but I don't find the
> >>>> corresponding file for autogrid4.
> >>>>
> >>>> Thank you and best regards
> >>>>
> >>>> Alessandro Contini
> >>>>
> >>>>
> >>>>
> >>>>
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> >>>
> >>> End of autodock Digest, Vol 58, Issue 34
> >>> ****************************************
> >>>
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> 



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