Re: ptraj generated PDB files

From: David A. Case <case.scripps.edu>
Date: Fri, 16 May 2003 08:43:34 -0700

On Fri, May 16, 2003, Fabian Boes wrote:
> hello ...
>
> any solution how to get the atoms in the "right" order
> like in the original pdb file?

I don't think programs are supposed to depend upon, or draw conclusions from,
the order of the atoms within a residue. In any event, I think you would have
to write your own script to get the ordering you want.

...good luck...dac 

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David A. Case                     |  e-mail:      case.scripps.edu
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Received on Fri May 16 2003 - 16:53:00 PDT
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