[phenixbb] Fitting ligand using coot

Nathaniel Echols nechols at lbl.gov
Sat Mar 30 14:51:16 PDT 2013

On Sat, Mar 30, 2013 at 1:42 PM,  <bsubedi at btk.fi> wrote:
> ligand bound. Could it be the reason? As stated earlier I can see the density
> for the ligand. Also, I tried "Ligandfit" and "ligandidentifier" in PHENIX.
> They too failed.

We received your bug reports for the ligand identification - I'll make
sure they are passed on to the appropriate person.  I didn't see
anything for LigandFit though.  Does it crash, or does it simply miss
the desired location and place the ligand elsewhere?  If you're
willing to send us the input files (off-list!), we may have a better
answer for why it's failing.


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