ADL: autodock Digest, Vol 58, Issue 34

Stefano Forli forli at scripps.edu
Mon Jun 29 15:28:28 PDT 2009


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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>>>>
>>>
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>>>
>>> End of autodock Digest, Vol 58, Issue 34
>>> ****************************************
>>>
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-- 
  Stefano Forli, PhD

  Research Associate
  Olson Molecular Graphics Laboratory
  Dept. Molecular Biology,  MB-5
  The Scripps Research Institute
  10550  North Torrey Pines Road
  La Jolla,  CA 92037-1000,  USA.

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     email: forli at scripps.edu


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