[Dock-fans] Energy score interpretation

Terry Lang terry at cgl.ucsf.edu
Thu Oct 13 09:34:14 PDT 2005


Dear Aalok,

          Could you provide more detail on "could not compile"?  We have 
not had many problems compiling on Mandrake systems in the past.

Sincerely,
Terry


Aalok Nadkar wrote:

>Thanks..
>I applied the patches, but I could not compile dock5 on my system. I
>am using Mandrake Linux 9.2.
>Is there a problem with my compiler or am I missing something?
>
>Thanks in advance,
>
>Aalok
>
>
>
>
>On 10/12/05, Terry Lang <terry at cgl.ucsf.edu> wrote:
>  
>
>>Dear Aalok,
>>
>>          Have you applied all of the bug fixes?  They can be found at
>>http://dock.compbio.ucsf.edu/DOCK_5/DOCK_bugfixes.htm.  The result you
>>are getting is similar to some we saw in the pre-fixed versions.
>>
>>Sincerely,
>>Terry
>>
>>
>>Aalok Nadkar wrote:
>>
>>    
>>
>>>Hi all,
>>>
>>>I got this result from my docking run.
>>>Can somebody help me interpret it?  All the values I have seen are much higher.
>>>Am I missing something?
>>>
>>>RMSD:          31.1563
>>>########## Energy Score:       -19067.902954
>>>##########          vdw:         1743.725952
>>>##########           es:       -20811.628906
>>>
>>>
>>>Thank you,
>>>
>>>Aalok Nadkar
>>>
>>>Aalok Nadkar
>>>Research Engineering Associate
>>>Chemistry and Biochemistry
>>>University of Texas at Arlington
>>>_______________________________________________
>>>Dock-fans mailing list
>>>Dock-fans at docking.org
>>>http://blur.compbio.ucsf.edu/mailman/listinfo/dock-fans
>>>
>>>
>>>      
>>>
>>--
>>P. Therese Lang
>>Kuntz and James Labs
>>UCSF--Chemistry and Chemical Biology
>>Phone: (415)476-3986
>>
>>
>>
>>
>>
>>    
>>
>
>  
>

-- 
P. Therese Lang
Kuntz and James Labs
UCSF--Chemistry and Chemical Biology
Phone: (415)476-3986

 





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