ADL: problem visualizing clusters found in ADT

Tomek Wlodarski tomek.wlodarski at gmail.com
Thu Mar 27 06:20:13 PDT 2008


Hi,
Have you tried - recluster option in ADT?
Best,

Tomek

On Mon, Mar 24, 2008 at 7:21 PM, Romelia Salomón Ferrer
<romesalomon at gmail.com> wrote:
> Hi
>
>  I am a new user to Autodock. I tried to run a docking experiment and
>  everything went fine as far as I could tell, however when I tried to
>  visualize the final results using the analyze part of ADT I get an error
>  message saying no clusters were found. I checked the my_name.dlg and there
>  seems to be some clusters
>
>
>  Number of distinct conformational clusters found = 7,  out of 10 runs,
>  Using an rmsd-tolerance of 2.0 A
>
>
>     CLUSTERING HISTOGRAM
>     ____________________
>
>  ________________________________________________________________________________
>      |           |     |           |
>  |
>  Clus | Lowest    | Run | Mean      | Num |
>  Histogram
>  -ter | Binding   |     | Binding   | in
>  |
>  Rank | Energy    |     | Energy    | Clus|    5    10   15   20   25   30
>  35
>  _____|___________|_____|___________|_____|____:____|____:____|____:____|____:___
>    1 |     -7.10 |   8 |     -7.10 |   1 |#
>    2 |     -7.06 |   1 |     -6.80 |   2 |##
>    3 |     -5.85 |   6 |     -5.85 |   1 |#
>    4 |     -4.97 |  10 |     -3.73 |   3 |###
>    5 |     -4.70 |   4 |     -4.70 |   1 |#
>    6 |     -4.67 |   7 |     -4.67 |   1 |#
>    7 |     -4.42 |   3 |     -4.42 |   1 |#
>  _____|___________|_____|___________|_____|______________________________________
>
>
>
>  (It was a very small run just to try the program)
>
>  Does anybody know what could be going wrong? I tried the example provided
>  with the tutorial and that works fine. I tried comparing the output file of
>  the tutorial with mine but I couldn't find anything evidently missing, but I
>  must be missing something...
>
>  Thanks!!
>
>
>
>  --
>  ****************************************
>  Romelia Salomon
>  13 Gilman Hall
>  Pitzer Center ,
>  Chemistry Department
>  UC Berkeley
>  Tel: (510)642-5911
>  ________________________________________________
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>



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