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: 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 hard

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

CIF format for powder work

2006-07-11 Thread Whitfield, Pamela
Afternoon all After spending over 2 days making up a single file, I'd like to hear some other opinions on the practical aspects of CIF files for structures from powder data. This is partly a moanfrom trying to get a 11000 line file to pass the CheckCIF when all of the items it complains about

RE: CIF format for powder work

2006-07-11 Thread kychung
Title: Untitled-1 편지 감사합니다. 저는 [EMAIL PROTECTED] 이메일주소 사용자 입니다 저에게 편지를 보내시려면 처음 한 차례의 인증이 완료되어, 저의 주소록에 귀하가 등록이 되어야만, 저에게 정상적으로 메일을 전송할 수 있습니다. 본 인증 이후 저의 주소록에 등록되면,그 후 발송되는 메일은 인증과정이 생략됩니다

Full proof

2006-07-11 Thread smita . thosar
Dear all, Does anybody know about the program Full proof used for refinement? Will you please give details about this. Thanks Smita Thosar