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From: lina <lin...@gm...> - 2011-05-01 06:24:08
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Thanks for your answering. I will try. On Sat, Apr 30, 2011 at 3:43 AM, Harry Jubb <hj...@ca...> wrote: > There is also something like > Batch: prepare_receptor4.py -r /cwd/receptor_1.pdb -o > /cwd/receptor..pdbqt -A checkhydrogens > sh: prepare_receptor4.py: not found > > Dear Lina, > I also encountered this error when using the Autodock 4 plugin. I believe > that there is a bug in the script for adding hydrogens; my solution for some > structures was to use a different program to add hydrogens (I did this using > TRITON http://ncbr.chemi.muni.cz/triton/). Also, if I remember correctly, it > is best to ensure there are no underscores in your PDB filenames or > selections. > I hope that is of some help, > Best, > Harry > ----------------------------------- > Harry Jubb > Part II Biochemistry > Homerton College -- Best Regards, lina |