[phenixbb] FreeR flags from AutoBuild

Sam Tang samtys0910 at gmail.com
Fri May 13 09:36:20 PDT 2016

Hello Luca and Tom

Thanks for the clarification.

And yes I am now able to check the test set with mtzdump.

Thanks so much.

Kind regards

Sam Tang

Biochemistry Programme, School of Life Sciences, CUHK

On 12 May 2016 at 20:20, Terwilliger, Thomas Charles <terwilliger at lanl.gov>

> Hi Sam,
> Yes, autobuild will read the test set (freeR flags) and use these free R
> flags and write them out to overall_best_refine_data.mtz.  So yes, the
> R-values are directly comparable if you refine against the input
> experimental data or overall_best_refine_data.mtz.   As Luca mentioned,
> you could verify this with mtzdump or with:
> phenix.mtz.dump -c original_data.mtz > original_data.txt
> phenix.mtz.dump -c overall_best_refine_data.mtz >
> overall_best_refine_data.txt
> All the best,
> Tom T
> ------------------------------
> *From:* phenixbb-bounces at phenix-online.org <
> phenixbb-bounces at phenix-online.org> on behalf of Sam Tang <
> samtys0910 at gmail.com>
> *Sent:* Wednesday, May 11, 2016 8:59 PM
> *To:* PHENIX user mailing list
> *Subject:* [phenixbb] FreeR flags from AutoBuild
> Dear all
> May I enquire a simple question about AutoBuild - I input an experimental
> data (ccp4 mtz from Aimless) and a model from Phaser-MR to AutoBuild hoping
> that some mis-fit flexible regions could be re-build. May I know if the
> output mtz *overall_best_refine_data.mtz* contains the same FreeR flags
> as in the input, or would AutoBuild generate a new set of FreeR? Or in
> other words, are the R values directly comparable if I refine against the
> input experimental data mtz or the overall_best_refine_data.mtz?
> Thanks!
> Cheers
> Sam Tang
> Biochemistry Programme, School of Life Sciences, CUHK
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20160514/ca1ebe35/attachment.htm>

More information about the phenixbb mailing list