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refinement of initial structure
- To: modeller_usage
- Subject: refinement of initial structure
- From: Derek Smith <derek AT yorvic.york.ac.uk>
- Date: Mon, 09 Aug 1999 17:35:45 +0100
Dear Modellers,
I have a manually constructed model and I would like to use the MODELLER
optimisation protocol. I have attempted to follow the FAQ question 12,
but I find that although MODELLER reads in the 'model.ini' file I give
it, it then extracts restraints from the templates to refine the model.
Is there a way of presenting MODELLER with a model (minus any other
details) and using the program purely as a structure refinement tool?
Any help would be appreciated,
Derek Smith
--
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Derek Smith phone: (01904) 432550
Structural Biology Laboratory email: derek AT yorvic.york.ac.uk
Department of Chemistry fax: (01904) 410519
University of York, Heslington, York. YO10 5DD United Kingdom.
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