[gmx-users] merge two PDBs

Peyman Yamin p.yamin at fz-juelich.de
Tue Jun 30 15:17:38 CEST 2009


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
Tel:    (49)-2461-61-2875
Fax:    (49)-2461-61-2023
mailto: p.yamin[at]fz-juelich.de

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