... | ... | @@ -33,17 +33,16 @@ By default structure factors from the model are computed to Nyquist frequency. T |
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phenix.python prepare_locscale_input.py -mc pdb3j5p.pdb -em emd_5778_full.map -dmin 4.0
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```
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Please be aware that CCTBX currently only supports electron scattering parameters for neutral atoms.
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Please be aware that CCTBX currently only supports parameterized electron scattering factors for neutral atoms. To take into account charged atoms please consult reference [4] and modify the tabulated electron scattering table accordingly.
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See [```prepare_locscale_input.py```](prepare_locscale_input.py) script for further options.
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<br>
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LocScale maps can be computed using any source of reference maps for scaling. If you prefer to use your own workflow to generate reference model maps, we do recommend to make sure your map complies with the [following procedure](model_map_generation_from_arbitrary_files).
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<br>
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[//]: # (#### __PLEASE download the following [electron form factor table](electron_scattering.py) for use with pdb2map.py.__)
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##### References:
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[[1]](https://doi.org/10.1101/121913) Jakobi et al. bioRxiv 121913 (2017)
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[[2]](https://www.nature.com/nature/journal/v504/n7478/full/nature12822.html) Liao et al., _Nature_ __504__:107-112 (2013)
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[[3]](http://challenges.emdatabank.org/?q=model_challenge) EMDB Model Challenge 2015/2016 |
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[[3]](http://challenges.emdatabank.org/?q=model_challenge) EMDB Model Challenge 2015/2016
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[[4]](http://scripts.iucr.org/cgi-bin/paper?S1600576716011274) Yonekura et al., _J. Appl. Cryst._ __49__:1517-1523 (2016) |
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