Hi Alex,
Try Oscail 8 ( controling program for both ortex and oscailp)and to call powutil and
powdis( I used the stand alone oscailp before.) The output .ing is in xy format you
can easy port to other display program or you can just use the powdis.
http://ccp14.sims.nrc.ca/ccp/web-mirrors/ortex/cryst/index.htm
Sean X. Ouyang
Department of Chemistry
Texas A&M Univesity
>
>From: Lachlan Cranswick <[EMAIL PROTECTED]>
>Date: Mon, 12 Mar 2001 22:25:47 +1100
>To: [EMAIL PROTECTED]
>Subject: Re: Powder patterns from single crystal intensity data
>
>
>
>> I am wondering whether there is an easy to use tool that will take a
>>SHELX format intensity file and instrumental parameters (or even without
>>these) and calculate a powder pattern out of that.
>>
>> I know that sometime ago someone asked exactly the question I am now
>>asking, but if I recall correctly the answer involved using Koalariet, which
>>is a program with which I am not conversant.
>>
>> Thanks, AlexY
>>
>>Dr. Alexandre F. T. Yokochi
>>Assistant Professor (Senior Research)
>>Director, X-ray Crystallographic Facilities
>>Department of Chemistry
>>Oregon State University
>>Corvallis, OR 97331-4003
>>
>>Ph# (541) 737-6724 Email: [EMAIL PROTECTED]
>>Fax# (541) 737-2062 Web Page: crystal.chem.orst.edu/~alexy (temporarily
>>unavailable)
>
>Could any responses on this be posted to the list as
>I would be interested in hearing of such a program if
>it exists.
>
>While most of the single crystal suites will
>generate a powder pattern from a Shelx INS structure file
>(Platon/System S, ORTEX and WinGX); as far as I can tell,
>they will not generate pseudo-powder patterns from HKL
>intensity lists. More effort seems to have gone the
>other way in creating Pawley and Le Bail methods.
>
>Doing this type of thing properly from Shelx HKL data
>in Koalariet would not be that much fun(?).
>
>Lachlan.
>
>Lachlan M. D. Cranswick
>Geosciences - Lamont-Doherty Earth Observatory, Columbia University
>PO Box 1000, 61 Route 9W Palisades, New York 10964-1000 USA
>Tel: (845) 359-8302 Fax: (845) 365-8155
>E-mail: [EMAIL PROTECTED] WWW: <a
>href="http://www.ldeo.columbia.edu">http://www.ldeo.columbia.edu</a>
> CCP14 Xtal Software Website: <a
>href="http://www.ccp14.ac.uk">http://www.ccp14.ac.uk</a>
>
>
>
