[phenixbb] Educative Tool Idea

[Pavel Afonine]

FYI:
phenix.fmodel rarely takes more than 3-5 seconds to run. Under the hood 
it is simply iotbx.pdb.input to fast-process PDB file, and then Fcalc 
from xray_structure. If bulk-solvent contribution is requested then the 
time for mask calculation (which is fast too) adds to the total runtime.

Pavel

On 9/13/11 9:14 PM, Ralf Grosse-Kunstleve wrote:
>
>     sfall  XYZIN model.pdb  HKLOUT model.mtz << END-sfall
>     MODE SFCALC XYZIN
>     CELL 15 20 25 90 90 90 <tel:20%2025%2090%2090%2090>
>     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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