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Dear All
We are pleased to announced the release of a first version of
"Mr Bump" (formerly known as BMP), an automated scheme for Molecular
Replacement. Given a target sequence and experimental structure
factors, Mr Bump will search for homologous structures, create a set of
suitable search models from the template structures, do molecular
replacement, and test the solutions with some rounds of restrained
refinement.
WHAT MR BUMP IS NOT:
It is not a new MR program - it uses Phaser and/or Molrep.
It is not particularly clever - it won't compete with an
expert crystallographer familiar with the target in question.
WHAT MR BUMP WILL DO:
In straightforward cases, it will give you a positioned model
suitable for further refinement or re-building, with little
effort.
It will give results for a variety of templates and methods,
which may allow the discovery of an efficacious combination
that would have been missed by hand.
Mr Bump can be downloaded from:
http://www.ccp4.ac.uk/martyn/BMP/mrbump.php
It comes complete with a ccp4i GUI and documentation. Information
on dependencies and installation can be found on this web page.
Regards,
Ronan Keegan
Martyn Winn
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* *
* Dr. Martyn Winn *
* *
* Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, ENGLAND *
* Tel: +44 1925 603455 E-mail: [EMAIL PROTECTED] (personal) *
* Fax: +44 1925 603825 E-mail: [EMAIL PROTECTED] (CCP4 problems) *
* URL: http://www.ccp4.ac.uk/martyn/martyn.html *
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