script to calculate phase error
Hello, I understand Phase error is written out after phenix.refine. For a particular case, I need to calculate phase error during different stages of model building (before refinement). Is there a script available which could calculate phase error given a model(PDB) and structure factors (MTZ) files? Thanks, Kaushik -- Stupidity is everyone’s birthright. However, only the learned exercise it! --Kaushik (28Oct2014)
Hi Kaushik, not available at present but I can add a tool to calculate it if needed. I should be able to do it by the end of this week / beginning next week. Pavel On 2/24/16 06:07, Kaushik Hatti wrote:
Hello,
I understand Phase error is written out after phenix.refine. For a particular case, I need to calculate phase error during different stages of model building (before refinement). Is there a script available which could calculate phase error given a model(PDB) and structure factors (MTZ) files?
Thanks, Kaushik
Hi Kaushik, I just added it: it should be available as part of phenix.model_vs_data output in whatever next nightly build. Pavel On 2/23/16 21:07, Kaushik Hatti wrote:
Hello,
I understand Phase error is written out after phenix.refine. For a particular case, I need to calculate phase error during different stages of model building (before refinement). Is there a script available which could calculate phase error given a model(PDB) and structure factors (MTZ) files?
Thanks, Kaushik
participants (2)
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Kaushik Hatti -
Pavel Afonine