[Ifeffit] Athena doesn't start - Larch server not running

[Clayton, Gina]

Hi Shaofeng

I think you are asking how to convert your mol2 file into cif?   You can use Mercury from the ccdc


www.ccdc.cam.ac.uk/products/<http://www.ccdc.cam.ac.uk/products/>mercury/



Gina

On Feb 15, 2013, at 4:35 PM, <wangshaofeng at iae.ac.cn<mailto:wangshaofeng at iae.ac.cn>> wrote:

Hi Bruce,
how to transform a mol2 format file into a cif fomat file to obtain the crystal structure. please see the attachment.

Shaofeng



<ODAXIB.mol2>_______________________________________________
Ifeffit mailing list
Ifeffit at millenia.cars.aps.anl.gov<mailto:Ifeffit at millenia.cars.aps.anl.gov>
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit


NOTICE: This email message is for the sole use of the intended recipient(s) and may contain confidential and privileged information. Any unauthorized review, use, disclosure or distribution is prohibited. If you are not the intended recipient, please contact the sender by reply email and destroy all copies of the original message.