[ccp4bb]: recovering test set from cv file

[David MANDELMAN <d.mandelman@ibcp.fr>]

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Hi all,

I have recently collected data on a [protein-inhibitor] complex and am
preparing to refine this structure with CNS. My collaborator prepared
the test set of reflections with Xplor's "makecv" and thus the native
data (uncomplexed) "test set" is buried within the the .cv reflection
file.  I, of course, would like to transfer this test set to my
[prot-inh.] data test set to avoid biasing my r-free before I start
refinement. Some of the CCP4 programs such as "freerunique" combined
with "unique" and/or "freerflag" might do the trick, I'm not too sure.
If anyone else out there has had to go through this, any suggestions are
greatly appreciated.

Dave

PS - For the record, I use the "uniqueify" script to save my native test
set to a file that can be later transferred to a new data set via the
"makefreer" script. A very convenient protocol for future mutant and
inhibitor complex work.
--
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Si on ne peut plus tricher avec ses amis, ce
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                             - Marcel Pagnol -
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Dr David MANDELMAN
IBCP - CNRS UMR 5086
7, Passage du Vercors
69367 Lyon cedex 07 - France
Tel: 33 (0)4 72 72 26 28
Fax: 33 (0)4 72 72 26 01
d.mandelman@ibcp.fr
http://www.ibcp.fr/team_rh.html
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