[Pmv] Can not save the pdb file with Positioning the ligand with ADT/

Sargis Dallakyan sargis at scripps.edu
Wed Oct 8 15:57:11 PDT 2008


Hi Hai,

PMV/ADT can save only one molecule at a time and that is why you get an error
message. Please select the molecule of interest and before doing Step 6). I'll
update the How-to to reflect this fact.

Thanks,
Sargis

hai wei wrote:
> Hi, I met the problem with Positioning the ligand with ADT. I tried to 
> reposition a substrate to in the protein, I have tried the steps 
> described in the link:
> 
> 
> http://autodock.scripps.edu/faqs-help/how-to/positioning-the-ligand
> 
>  >From the Step 1 to Steo 5, All are good. and I got what i want. while 
> the *Step 6)* Save transformed coordinates using "File → Save → Write 
> PDB". Make sure to click on "Save Tranformed Coords" radio-button in 
> "Write Options" window, otherwise ADT saves the original, un-transformed 
> coordinates.
> 
> When I tried to save, the write option widget did not pop out. and I got 
> the error message:
> Can not create the PDB file. The Current selection contains more than 
> one molecule.
> 
> I did not understand,
> 
> Can anyone help me ?
> 
> Thanks,
> 
> haiy
> 
> 
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