Dear Teresa, You could use Carine Cristallography, it provides miller indices of a direction by clicking on atoms.
http://pagespro-orange.fr/carine.crystallography/ Regards Patrick Weisbecker LCTS-PESSAC France ________________________________ De : Habib Boughzala <[email protected]> À : [email protected] Envoyé le : Lun 18 Janvier 2010, 22 h 34 min 48 s Objet : Réf. : calcul of a vector indices Dear Teresa, I think that you should try DIAMOND, it can do so... By a couple of click on desired tow positions, you read the hkl direction in the bottom of screen... Regards Habib Boughzala. Laboratoire de Matériaux et Cristallochimie. Association Tunisienne de Cristallographie I.P.E.I.N. Mrezga, 8000. Nabeul. Tunisie. -------Message original------- De : Mª Teresa Calvet Date : 15/01/2010 17:20:39 A : [email protected] Sujet : calcul of a vector indices Dear all, I need to calculate the indices of Miller of a vector that corresponds to a direction of interactions between molecules of a structure (I have de cif file). Can somebody recommend a program to me that selecting the atoms can calculate the vector indices? I have tried with Mercury but it only calculates planes. Thanks for your help. Regards Teresa Calvet
