AMBER Archive (2009)

Subject: Re: [AMBER] non standart residue library creation with tleap (Zn atom)

From: case (case_at_biomaps.rutgers.edu)
Date: Fri Nov 20 2009 - 07:30:54 CST

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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