Anisotropic temperature ellipsoid display with ICSD-Jmol

2008-05-14 Thread Alan Hewat
Thanks to Bob Hanson, Jmol as used by ICSD web servers, can now display anistropic temperature ellipsoids while rotating the structure in real time. See http://icsd.ill.fr/icsd/help/CIF-help.html and click on the simple KCaF3 example then click "Demo" on the login screen. Choose "

Re: Jmol

2006-07-11 Thread Alan Hewat
>I run the page http://icsd.ill.fr/icsd/help/CIF-help.html and all work fine >and I get the structure of YBaCuO superconductor, but i didn't understand >how to change the .cif file, for example one saved on my hard disk. Gianluigi, you can display any CIF file in ICSD using the search form eg htt

Re: Jmol

2006-07-11 Thread gianluigi . marra
Dear Alan excuse me if I ask you for your help but I still have problems with Jmol. I run the page http://icsd.ill.fr/icsd/help/CIF-help.html and all work fine and I get the structure of YBaCuO superconductor, but i didn't understand how to change the .cif file, for example one saved on my

Re: Jmol and automatic drawing of co-ordination polyhedrae

2006-07-11 Thread Alan Hewat
Robert O. Gould wrote: >One polyhedron, two polyhedra, what's a polyhedrae when it's at home? Oh dear, I hope you are not going to start another "cognoscenti" debate Bob. I don't use "polyhedron" in crystallography because by definition a crystal lattice does not contain a single polyhedron, but

Re: Rif: Re: Jmol and automatic drawing of co-ordination

2006-07-10 Thread Alan Hewat
>I downloaded the program JMOL version 10.3.1... You don't need to download any application - that's the whole point. Just click on http://icsd.ill.fr/icsd/help/CIF-help.html it and it will either display a structure along with some instructions, or else ask you to upgrade you

Rif: Re: Jmol and automatic drawing of co-ordination polyhedrae

2006-07-10 Thread gianluigi . marra
I downloaded the program JMOL version 10.3.1 but I didn't get any possibilility to draw a crystal starting from a cif file (the item "make crystal" is not active) . Where am I wrong? Cheers Gianluigi Gianluigi Marra EniTecnologie S.p.A - Istituto Guido Donegani Via Fauser,4 - 2

Re: Jmol and automatic drawing of co-ordination polyhedrae

2006-07-10 Thread Robert O. Gould
Buildings Tel 0131 650 7058 Quoting Alan Hewat <[EMAIL PROTECTED]>: Jmol has been developed from Chime, Rasmol etc for organic chemistry, but has recently been extended to draw polyhedrae, which is essential for understanding co-ordination for inorganic structures. Both the ICSD a

Jmol and automatic drawing of co-ordination polyhedrae

2006-07-10 Thread Alan Hewat
Jmol has been developed from Chime, Rasmol etc for organic chemistry, but has recently been extended to draw polyhedrae, which is essential for understanding co-ordination for inorganic structures. Both the ICSD and AMC inorganic/mineralogical databases are experimenting with Jmol for CIF, and