13 Sep
2011
13 Sep
'11
7:41 p.m.
On Tue, Sep 13, 2011 at 3:37 PM, Yuri
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.) -Nat