ADL: grid

Florenci V. Gonzalez fgonzale at qio.uji.es
Tue Jan 29 09:50:22 PST 2008


At 18:00 29/01/2008, you wrote:
>Florenci V. Gonzalez wrote:
>>Hello,
>>         when I run autogrid I get this error:
>>
>>/usr/local/bin/autogrid4: ERROR:  can't find or open receptor PDBQT 
>>file "1HSG_rigid.pdbqt".
>>
>>/usr/local/bin/autogrid4: ERROR:  Unsuccessful completion.
>>
>>
>>I do not know why it cannot find that file when it is there in that 
>>same directory!!
>>
>>regards,
>>
>>Floren
>>
>>________________________________________________
>>--- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>>
>>
>Hi Floren,
>Probably your environment is setup so that the current directory 
>is  not in your path.
>Type this to see:
>
>echo $PATH
>
>#for me, here the result
>--> echo $PATH
>.:/home/rhuey/bin:/mgl/prog/harmony/share:/mgl/prog/harmony/bin/i86Linux2:/usr/local/bin:/mgl/prog/i86Linux2/bin
>#i truncated it for sanity sake...
>
>#the first '.' represents the current directory
>#if you are using a csh, you could add the current directory this way->
>
>set path = ( .  $path)
>
>
>     Ruth

Thanks Ruth. Now is working but I have other problems related to the grid:
I do not see any AutoGpf Ligand widget after selecting the ligand 
when I set map types, and then when I run the Autodock an error appears:


Even Number of User-specified Grid Points = 0 x-points
                                                                        0 
y-points
                                                                        0 
z-points

Adding the Central Grid Point makes:              1 x-points
                                                                        1 
y-points
                                                                        1 
z-points

/usr/local/bin/autodock4: ERROR: insufficient grid points.
/usr/local/bin/autodock4: Aborting...

/usr/local/bin/autodock4: Unsuccessful Completion.

Why says insufficient grid points if I selected enough of them  in 
the grid box?

Thanks again,

Floren





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