[phenixbb] reflections file editor
Terwilliger, Thomas Charles
terwilliger at lanl.gov
Tue Apr 14 07:34:37 PDT 2015
You could use phenix.scale_and_merge for this and give it both datasets. Its purpose is to scale anomalous datasets but it will work with a mixture of datasets as well. (If you wait for tomorrow's nightly build it will work a little more nicely than the current version which crashes after writing out the scaled data to scaled_data.mtz because it expected anomalous data).
Note: It may be useful to set the keyword:
so that datasets with few reflections are included (i.e., your low-res data), so your command might look like:
phenix.scale_and_merge data=lowres.sca data=native.sca minimum_datafile_fraction=0.01
and this will write out scaled_data.mtz with all the data merged (and scaled).
All the best,
From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Almudena Ponce Salvatierra [maps.farma at gmail.com]
Sent: Tuesday, April 14, 2015 3:29 AM
To: phenixbb at phenix-online.org
Subject: [phenixbb] reflections file editor
I would like to merge two datasets containing anomalous signal. If have done so earlier for native data within phenix in the reflections editor by selecting the arrays corresponding to FP and SIGFP and then running the program.
However when I try to do so for the anomalous datasets it writes FP SIGFP and FP2 SIGFP2 instead or merging them, so it does with the anomalous signal... so I guess I have basically only one file containing two datasets but not a merged dataset. How can I solve it?
Would it be possible, on the other hand, to merge a dataset with anomalous signal with a native one? The intention behind is to extend the resolution to the one of the native data.
Macromolecular crystallography and Nucleic acid chemistry
Max Planck Institute for Biophysical Chemistry
Am Fassberg 11 37077 Göttingen
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