[phenixbb] cif_as_mtz assertion error

Eric Williams ericwilliams at pobox.com
Wed Jun 13 08:05:13 PDT 2012


Thanks. Good to know it's not just me. :)

How might I know which structures do and don't require --use-model? I'm
running cif_as_mtz on the whole PDB so I can then run model_vs_data. If I
know when to use that switch and when not to, I can mend my script
accordingly.

Thanks. :)

Eric

On Wed, Jun 13, 2012 at 10:59 AM, Nathaniel Echols <nechols at lbl.gov> wrote:

> On Wed, Jun 13, 2012 at 7:36 AM, Eric Williams <ericwilliams at pobox.com>
> wrote:
> > I'm trying to run phenix.cif_as_mtz on a large number of PDB entries, and
> > several entries give me an assertion error. The example below is from
> 8icz,
> > but the error always seems to be the same.
>
> This is a bug (which one of us will fix ASAP), but if you omit the
> --use-model argument, it should avoid the step that's crashing.  I
> haven't come across too many entries in the PDB that actually require
> this, especially among newer structures.
>
> -Nat
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