[phenixbb] Educative Tool Idea

Nathaniel Echols nechols at lbl.gov
Tue Sep 13 15:41:22 PDT 2011

On Tue, Sep 13, 2011 at 3:37 PM, Yuri <yuri.pompeu at ufl.edu> wrote:
> This may be a silly idea after all, nonetheless:
> Would it be possible (worhtwhile) to have a tool that lets the user input a
> molecule of a certain type (probably rather
> small size, i.e, an amino acid or cofactor), and then input a space group.
> Phenix could then generate a relection file that would be displayed using
> either data2d or 3d viewer.
> Obviously there are many other factors to be considered but just an idea...

This is very easy (basically just running eLBOW + phenix.fmodel), and
it's actually relevant to something else I wanted to try, so I'll add
it when I get a chance.  (You'll have to wait until after the next
release, however.)


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