[Ifeffit] Converting PDF files to CIF files for usage in Artemis

Carlo Segre segre at iit.edu
Tue Aug 9 18:36:47 CDT 2016

It is even pretty easy in the old Artemis.  No need to load data just 
start from Theory and make a new Atoms input file then use the Theory menu 
to Write Special Output.


On Tue, 9 Aug 2016, Matthew Marcus wrote:

> Oh, the Demeter menu.  I was looking in Artemis itself.  Thanks!
> 	mam
> On 8/9/2016 11:07 AM, Bruce Ravel wrote:
>> On 08/09/2016 01:50 PM, Matthew Marcus wrote:
>>> This actually results in a bit of inconvenience - if you want to use
>>> ATOMS, you have to load some data into Artemis and pretend you want to
>>> analyze it.
>> There is a "Stand-alone Atoms" item in the frickin' Start Menu.  How does 
>> that constitute an inconvenience?  If that's too many clicks for you, drag 
>> and drop a shortcut to the desktop.
>> You can use atoms from the command line to read an input or CIF file and 
>> write to a file or to standard output.  You can use atoms from the command 
>> line with the "--wx" switch to fire up the stand-alone GUI app.
>> I acknowledge that the web app that died last January was widely used and 
>> that I am an unredeemable lay-about for not recreating it.  But your 
>> criticism is a bit unfair, Matthew.
>> B
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Carlo U. Segre -- Duchossois Leadership Professor of Physics
Interim Chair, Department of Chemistry
Director, Center for Synchrotron Radiation Research and Instrumentation
Illinois Institute of Technology
Voice: 312.567.3498            Fax: 312.567.3494
segre at iit.edu   http://phys.iit.edu/~segre   segre at debian.org

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