On Sat, Mar 12, 2011 at 08:54:02AM -0500, case wrote:
> On Sat, Mar 12, 2011, Tru Huynh wrote:
> >
> > my self compiled ptraj seems to be unable to find the secondary structure
>
> The pdb file vmd (or maybe Molefacture) created is quite non-standard: it kind
> of looks like PDB version 3, but the hydrogen names are wrong. As a
> guess, try changing the HN atoms to "H", and see if that helps.
>
sed -i -e's/HN/H /g' works like a charmm!
nice solution, thanks :D
Tru
--
Dr Tru Huynh | http://www.pasteur.fr/recherche/unites/Binfs/
mailto:tru.pasteur.fr | tel/fax +33 1 45 68 87 37/19
Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France
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Received on Mon Mar 14 2011 - 11:00:07 PDT
