Re: [phenixbb] Fitting ligand using coot

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

On Sat, Mar 30, 2013 at 1:42 PM, 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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb