[Wien] struct2cif

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Wed Aug 10 12:11:10 CEST 2011


> If I just type struct2cif case.struct , then the problem
> posted before will occur. And the correct command is :
> x struct2cif
> which is not include in the userguide.

Right -- I ran into this 'problem' some time ago as well. To make it 
extra confusing: the opposite command 'cif2struct' has not to be run by 
'x'...

To wrap it up:

Converting mycif.cif into mycif.struct (can be ran in any directory):
cif2struct mycif.cif

Converting case.struct into case.cif (assuming a directory with the name 
'case'):
x struct2cif

Stefaan


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