ADL: autodock Digest, Vol 58, Issue 34

Alessandro Contini alessandro.contini at unimi.it
Mon Jun 29 04:25:55 PDT 2009


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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> >   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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