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Re: [modeller_usage] Build a model with multiple models



There is no need for scripting in order to concatenate PDB files - and by the way, that is not how I understood the original question.

Theseus ( http://www.theseus3d.org/ ) will take a bunch of PDB files, align them structurally, and insert MODEL and ENDMDL records so that the final file will look like an NMR ensemble. A single command is all it takes:

theseus files.0???.pdb

This assumes we have lots of PDB files with files.0???.pdb names where ? stands for any character - those would be different numbers in case of MODELLER-made PDB files.


At 12:47 PM 11/1/2011, you wrote:
On 10/31/2011 07:16 AM, junior wrote:
> How do I build a PDB file containing more than 10 models?

If you really mean you want to make a single PDB file containing
multiple models (which the PDB format allows, with a MODEL record at the
start of each model and an ENDMDL record at the end) then you can't do
that with MODELLER, for any number of models (10 or otherwise). The
models produced by MODELLER are each in their own PDB file.

If you simply want to make more than 10 models, each in a *different*
PDB file, then go with Mensur's suggestions. If you really want a single
PDB file containing multiple models, you will have to first produce
multiple PDB files, then stick them together manually, inserting MODEL
and ENDMDL records, either with a text editor or with some simple scripting.

        Ben Webb, Modeller Caretaker
--
             http://www.salilab.org/modeller/
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