ADL: can't find or open *.receptor.C.map

Bernhard Knapp bernhard.knapp at meduniwien.ac.at
Mon Jan 21 00:49:02 PST 2008


thanks for your fast reply but i have still some problems:

if I simply add 
"map hsg1.SA.map"
to the gpf file it says "ERROR: Too many "map" keywords (2); the "types" 
command declares only 1 maps."

if i change the map line to "map hsg1.SA.map" it complains with
"I'm sorry; I can't find or open  "complexLLFGAPVYV.receptor.C.map"

also if i remove the SA from  the "-p ligand_types="A C Cl H F OA N P S 
Br NA SA HD"" it does not help and it still says "I cant find or open 
"complexLLFGAPVYV.receptor.N.map""

what am I doing wrong?

thx
Bernhard




Sargis Dallakyan wrote:

>>/home/bknapp/MGLTools-1.4.6/share/bin/pythonsh 
>>/home/bknapp/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/Utilities24/prepare_gpf4.py 
>>-o complexLLFGAPVYV.gpf -l complexLLFGAPVYV.ligand.pdbqt -r 
>>complexLLFGAPVYV.receptor.pdbqt -p ligand_types="A C Cl H F OA N P S Br 
>>NA SA HD" -p gridcenter="grid center coordinates" -p npts="grid points"
>>
>>/home/bknapp/downloads/autoDock_4/i86Linux2/autogrid4 -p 
>>complexLLFGAPVYV.gpf -l complexLLFGAPVYV.glg
>>    
>>
>
>Something went wrong at this point. autogrid4 seems to be having problem with 
>'SA' atom type for ligand.
>http://mgldev.scripps.edu/bugs/show_bug.cgi?id=889
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