platon transformation

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platon transformation

Postby Jsn » 23 Jul 2010, 08:32

Hai all,

Please help me in transforming the cell and hkl file using platon and the procedure thereof.

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Re: platon transformation

Postby Rudi » 23 Jul 2010, 09:39

What do you want to do exactly?
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Re: platon transformation

Postby Jsn » 30 Jul 2010, 07:10

Thanx Rudi for the interest. Sorry i couldn't get back then.

I got a data collected in a triclinic system. structure solution didn't yield the expected model.
A space group determination program suggest the possibility of a rhombohedral system.
my doubt is, how to transform the cell and hkl file using platon .

thanx
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Re: platon transformation

Postby johnewarren » 30 Jul 2010, 10:25

If addsym in Plato gives you new setting then just do addsym-shx to get appropriate ins file. This will not I honk merge your equivalent data in you hkl though.
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Re: platon transformation

Postby Rudi » 30 Jul 2010, 19:27

Provided you already do have a model, ADDSYM SHELX in Platon is fine, as John said. Otherwise, if you just want to transform the unit cell and the hkl file, it can be easily done with WinGX. (XPREP or your diffractometer software will also do the trick.)
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