[phenixbb] Fitting ligand using coot

Bishwa Subedi bsubedi at btk.fi
Sat Mar 30 15:07:16 PDT 2013

Dear Nat,

No LigandFit does not crash but when I try phenix.refine directly from the summary it does not succeed. I added the mtz file to run refinement but it gives some error message and submits bug report.

Best regards,


On Mar 30, 2013, at 11:51 PM, Nathaniel Echols wrote:

> 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.
> -Nat
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