[RMCProfile-users] (no subject)

helen.playford at stfc.ac.uk helen.playford at stfc.ac.uk
Mon Mar 2 11:45:23 GMT 2015

Dear Carlos,

There are several options available for this. First, the program data2config can produce a .cif file from a .cfg file (please get in touch again if you try this and encounter problems, as it can be a little temperamental). Second, you can put “> CSSR” in your RMCProfile .dat file under the “FLAGS ::” heading, and this will produce a .cssr file that programs like Crystalmaker can read. Thirdly, there is a program called “rmc_to_atomeye” which converts an RMC .cfg to one that the visualisation package Atomeye can read.

Hope this is helpful, please let me know if you need any further assistance.

Best wishes,

From: rmcprofile-users [mailto:rmcprofile-users-bounces at rmcprofile.org] On Behalf Of Carlos Triana Estupinan
Sent: 19 February 2015 14:21
To: rmcprofile-users at rmcprofile.org
Subject: [RMCProfile-users] (no subject)

RMC group

I want to know if it is possible to convert the .cfg file to another .cif or .xyz file in order to use other visualization software. If so, how can I do it.



Carlos Augusto Triana Estupiñan (C.A. Triana-E)
M.Sc. In Physical Sciences-Research
PhD Student-Research
Ångströmlaboratoriet, Lägerhyddsv. 1
Solid State physics
Uppsala University, Box 534
751 21 Uppsala, Sweden
Tel: +46 018 471 3144
e-mail:carlos.triana at angstrom.uu.se<mailto:e-mail%3Acarlos.triana at angstrom.uu.se>
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