ADL: autodock Digest, Vol 43, Issue 33

jose correa corrjose at gmail.com
Mon Oct 29 09:19:45 PDT 2007


Dear Burgos
You should find information at autodock home web site.
Best wishes
Jose


2007/10/27, autodock-request at scripps.edu <autodock-request at scripps.edu>:
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> Today's Topics:
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>   1.  list_of_names_of_residues_to_move (burgosgu at ualberta.ca)
>   2.  best system configuration (kala)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Fri, 26 Oct 2007 15:26:18 -0600
> From: burgosgu at ualberta.ca
> Subject: ADL: list_of_names_of_residues_to_move
> To: autodock at scripps.edu
> Message-ID: <20071026152618.1a4jcgou8404oso0 at webmail.ualberta.ca>
> Content-Type: text/plain;       charset=ISO-8859-1;     DelSp="Yes";
>        format="flowed"
>
> Hello everyone,
>
> I wish to do some dockings using a flexible receptor. I know that to
> do so I need the script prepare_flexreceptor4.py that takes as input
> the macromolecule file and also a file with the list of names of
> residues to move. However, I do not know what is the format for this
> file, I have surfed for hours on the web and I can't find an answer.
>
> Suggestions?
>
> Thanks a lot
>
>
> ------------------------------
>
> Message: 2
> Date: Sat, 27 Oct 2007 23:51:54 +0530
> From: kala <kalabharath at gmail.com>
> Subject: ADL: best system configuration
> To: autodock at scripps.edu
> Message-ID:
>        <7edc9ec40710271121n24a728abhf5b1453cd01acc4d at mail.gmail.com>
> Content-Type: text/plain; charset=ISO-8859-1
>
> Hi dockers
>
>                i am recently into docking and i feel that my current
> system
> configuration is insufficient to handle the Autodock ,and i am planning to
> upgrade to the following configuration, could this be the best
> configuration
> (for me) to run autodock , i welcome your suggestions.
>
> AMD Athlon 64 2800+ @ 1.8 GHz  speed
>
> 1GB DDR RAM (previously it was 512 Mb)
>
> nvidia 6600LE 256 MB graphics (previously i was using shared memory)
>
> 80 GB Samsung SATA hard drive.
>
> Fedora 8 ( suggest me 32 or 64 bit , currently using FC5 64 bit version)
>
> Windows XP x64 bit edition.
>
> I would also like to know the whether my co dockers also use a similar
> kind
> of configuration or any high end.
>
> thank you
>
> --
> kala bharath
>
>
> ------------------------------
>
> ________________________________________________
> --- ADL: AutoDock List  ---
> http://www.scripps.edu/pub/olson-web/doc/autodock/ ---
>
> End of autodock Digest, Vol 43, Issue 33
> ****************************************
>


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