[phenixbb] Iridium hexamine problems with eLBOW

Benoît Masquida b.masquida at ibmc-cnrs.unistra.fr
Wed Jul 4 01:53:26 PDT 2012

I experience problems generating a correct CIF file for iridium hexamine (IRI in the eLBOW database).

The geometry is supposed to be octahedral and eLBOW outputs a prism regardless of the options checked in the GUI. eLBOW actually does the same for the octahedral Mg(OH2)6.

Does someone know how to rule this out?

Thanks to everybody.


Benoît Masquida
Chargé de Recherche CNRS
IBMC Strasbourg UPR 9002 ARN
b.masquida at ibmc-cnrs.unistra.fr
+33 (0)3 88 41 70 45
+33 (0)6 70 23 79 50
+33(0)3 88 60 22 18 (fax)

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