[Cod-bugs] A certain CIF is crashing the new version of Mercury

[Timothy D Siegler]

Okay, thanks everyone! I'm convinced it's an issue with Mercury.

Thanks again!

Tim

On Tue, Apr 3, 2018 at 3:33 PM, Andrius Merkys <andrius.merkys at gmail.com>
wrote:

> Dear Timothy,
>
> the CIF of COD entry 1545320 is syntactically correct according to the CIF
> 1.1 syntax. As Mercury is a closed-source program, I can not investigate
> the exact cause of the problem with it. Nevertheless, I have checked the
> CIF with cif_linguist (https://github.com/COMCIFS/cif_api), CIF
> developer's implementation of the CIF parser, to find out that cif_linguist
> requires CIF value 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' be
> quoted (I have submitted a bug report, https://github.com/COMCIFS/
> cif_api/issues/22). The same reason may be with Mercury. You may try to
> remove the CIF line with _refine_ls_extinction_expression data item and
> try again to test it.
>
> Best wishes,
> Andrius
>
> On 04/03/2018 04:07 PM, Timothy D Siegler wrote:
>
> To whom it may concern:
>
> I just downloaded the new version of Mercury. In the new version, CIF
> #1545320 will not load.I tried using both my old copy and a newly
> downloaded copy of this CIF file, but both crash my program.
>
> Other CIF files I have tried from the database load perfectly well.
>
> Thanks!
>
> Tim
>
> --
> *Timothy D Siegler *| NDSEG Fellow, Korgel Group
> The University of Texas at Austin | McKetta Department of Chemical
> Engineering | Cockrell School of Engineering
> 100 E. 24th St. Austin, TX 78712
> <https://maps.google.com/?q=100+E.+24th+St.+Austin,+TX+78712&entry=gmail&source=g>
> | NHB 6.352 | 512-471-7043 <(512)%20471-7043> | tsiegler at utexas.edu
>
>
> _______________________________________________
> Cod-bugs mailing listCod-bugs at lists.crystallography.nethttp://lists.crystallography.net/cgi-bin/mailman/listinfo/cod-bugs
>
>
> --
> Andrius Merkys
> Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325 <https://maps.google.com/?q=Saul%C4%97tekio+al.+7,+room+V325&entry=gmail&source=g>
> LT-10257 Vilnius, Lithuania
>
>


-- 
*Timothy D Siegler *| NDSEG Fellow, Korgel Group
The University of Texas at Austin | McKetta Department of Chemical
Engineering | Cockrell School of Engineering
100 E. 24th St. Austin, TX 78712 | NHB 6.352 | 512-471-7043 |
tsiegler at utexas.edu
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