[Xplor-nih] PDBTool

[Charles at schwieters.org]

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Hello Andrew--

>   Thanks I was able to get the script working but noticed the iupac labeling
> isn't the same as that found in PDB files I have downloaded  HB1 vs 1HB.

we'll have to fix that one.

> 
> I should have clarified.  I am trying to convert the structures into a form
> that is depositable into the pdb.
> This should be a very straight forward task considering the number of people
> that use Xplor.  I thought PDBTool was what I needed.  It should allow me to
> make remarks etc.

External tools are traditionally used for this purpose. For instance,
see pdb_extract:

  http://sw-tools.pdb.org/apps/PDB_EXTRACT/index.html

We would like to get Xplor-NIH to cooperate better with this process,
but it's not quite there yet.

best regards--
Charles
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