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Phenix: Difference between revisions
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=== phenix.mtz2map === | === phenix.mtz2map === | ||
with output=xplor produces an X-PLOR style map. Adding a PDB file will result in a masked map. | with output=xplor produces an X-PLOR style map. Adding a PDB file will result in a masked map. | ||
=== [http://www.phenix-online.org/documentation/reciprocal_space_arrays.htm phenix.reciprocal_space_arrays] === | |||
computes various arrays such as Fcalc, Fmask, Fmodel, Fbulk, and more. | |||
Inputs: | |||
* File with reflection data (Fobs or Iobs), R-free flags, and optionally HL coefficients. It can be in most of known formats and spread across multiple files; | |||
* label(s) selecting which reflection data arrays should be used (in case there are multiple choices in input file, there is no need to provide labels otherwise); | |||
* PDB file with input model. | |||
Usage examples: | |||
# phenix.reciprocal_space_arrays model.pdb data.hkl f_obs_label="IOBS" | |||
# phenix.reciprocal_space_arrays model.pdb data.hkl r_free_flags_label="FREE" | |||
Output: MTZ file with data arrays. | |||
== NCS usage == | == NCS usage == | ||