[gmx-users] merge two PDBs

Erik Marklund erikm at xray.bmc.uu.se
Tue Jun 30 15:40:59 CEST 2009


Hi,

What error(s) do you get?

/Erik

Peyman Yamin skrev:
> Hi everyone,
>
> can one still search the mailing list entries? I can't find it in the new
> site!
> A question: what would one want to do if he had a PDB file of a dimer and
> pdb2gmx couldn't analyse both of them, ending up giving some errors. I tried
> to separate two mers and then pdb2gmx'ed them getting nice topologies of each.
> But how can I merge them together again? the numbering will be messy. There
> should be some more human way for that :-) Editconf does not take two files
> and I don't want to put the other one at a random position since it needs to
> be just beside the other mer! What should one do at all, if one gets a NMR-
> based PDB which has the structure of more than one chemically equal species
> and wants to work with it?
>
> With Herzian thanks...
>
> Cheers,
> Peyman
>
>
> --
> Peyman Yamin
> Institut fuer Strukturbiologie und Biophysik (ISB)
> ISB-3: Strukturbiochemie
> Forschungszentrum Juelich
> D-52425 Juelich
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> mailto: p.yamin[at]fz-juelich.de
>
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-- 
-----------------------------------------------
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://xray.bmc.uu.se/molbiophys




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