Hi Gustaf,
>
> I proceeded to try the tutorial to see if I could get anything to work and found some issues:
>
> -> metalpdb2mol2.py -i ZN.pdb -o mol2 ZN.mol2 -c 2
> should be:
> <- metalpdb2mol2.py -i ZN.pdb -o ZN.mol2 -c 2
>
> -> cat 1OKL_Hpp_fixed.pdb ZN.pdb MNS_H_fixed.pdb > 1OKL_H.pdb
> should be:
> <- cat 1OKL_Hpp_fixed.pdb ZN.pdb MNS_fixed_H.pdb > 1OKL_H.pdb
>
Thank you for catching these typos in the tutorial. I will fix them.
Pengfei
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Received on Tue Jul 13 2021 - 20:00:03 PDT
