[phenixbb] Educative Tool Idea

Tue Sep 13 21:14:52 PDT 2011

>
> sfall  XYZIN model.pdb  HKLOUT model.mtz << END-sfall
> MODE SFCALC XYZIN
> CELL 15 20 25 90 90 90
> SYMM P212121
> RESO 30 2.1
> LABO FC=FC PHIC=PHIC
> END-sfall
>

Here is another one:

iotbx.pdb.as_xray_structure model.pdb --fake=2.5

Faster than phenix.fmodel, but no bulk-solvent correction.

Ralf
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