Newsgroups: sci.techniques.xtallography Path: daresbury!pegasus.csx.cam.ac.uk!bath.ac.uk!mspmjm Sender: mspmjm@bath.ac.uk (Verified by Kerberos) Organization: School of Material Science, University of Bath, UK Date: Thu, 3 Dec 1998 15:29:49 GMT Lines: 10 Hi, Does anyone know of any public domain/shareware software for finding periodic bond chains in crystal structures. Thanks in advance Martin McLoughlin Dept. of Materials Science Univ of Bath, UK
From: Thomy@my-dejanews.com Newsgroups: sci.techniques.xtallography Subject: Re: PBC analysis software Date: Sun, 06 Dec 1998 09:32:32 GMT Organization: Deja News - The Leader in Internet Discussion Hi Martin, To the best of my knowledge, there is only one piece of software for this purpose. You can contact the author: Dr. Christina Strom; c.strom@elsevier.nl This is a very proffesional tool for finding literaly ALL possible PBCs. The only bad news is that it is not user friendly at all and you definitely need authors assistance to get introduced to its operation. Good luck, In article <3666AB1F.1AA4@bath.ac.uk>, mspmjm@bath.ac.uk wrote: > Hi, > > Does anyone know of any public domain/shareware software for finding > periodic bond chains in crystal structures. > > Thanks in advance > > Martin McLoughlin > Dept. of Materials Science > Univ of Bath, UK > -- Dr. Thomas Kerestedjian, Geol. Inst., Bulgarian Acad. Sci.
From: John OsbornNewsgroups: sci.techniques.xtallography Subject: Re: PBC analysis software Date: Mon, 07 Dec 1998 10:40:11 +0000 Organization: University of Bradford Thomy@my-dejanews.com wrote: > > Hi Martin, > > To the best of my knowledge, there is only one piece of software for this > purpose. You can contact the author: Dr. Christina Strom; c.strom@elsevier.nl > > This is a very proffesional tool for finding literaly ALL possible PBCs. The > only bad news is that it is not user friendly at all and you definitely need > authors assistance to get introduced to its operation. A more user-friendly version of the Hartman-Perdok morphology calculation with periodic bond chain analysis is implemented in the latest version of the Cerius2 molecular modelling package (Molecular Simulations Inc.). However this package is commercial, not public domain as requested by the original poster. -- John Osborn University of Bradford, UK.