On Fri, Nov 20, 2009, Andrew Voronkov wrote:
>
> I've saved Zn into a separate PDB file as in this tutorial:
> http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_four/section2.htm
>
> Here are PDB file contents:
> HETATM 1666 ZNA ZN A 1 -34.053 -24.945 -27.759 1.00 27.33 ZN
> END
>
> Then I've loaded it as zna = loadpdb zna.pdb and tried to set the atom
> type and charge according the command which yo have provided in
> format set unit.resnumber.resname type Zn. But I've got an error about that this is "not a containter".
>
>
> > desc zna
Use more detailed "desc" commands (as suggested earlier):
desc zna.1 will show atoms in the residue
desc zna.1.ZNA will describe the atom; I'm guessing from your PDB file
that the atom name is "ZNA", not "ZN", but the desc
command will let you know for sure.
...dac
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Received on Fri Nov 20 2009 - 06:00:06 PST
