Global parameters mapping with EXAFS
Hi, Recently I have come across some publications (Chance, et al., Biochemistry, 1996, 35, 9014-9023) where people have used global parameter mapping techniques with EXAFS in order to refine the obtained metal-ligand bond distances. If Im right the code they developed was called AUTOFIT 1.0. Does anyone of you know whether this code is freely available on the web? Or if not, does anyone of you know about similar codes which are being used in EXAFS analysis. Please let me know about this issue and help me to find out more about this approach. Have a nice day! Wojciech Gawelda ********************************************************************* Wojciech Gawelda Institut de Physique de la Matière Condensée Université de Lausanne IPMC-BSP CH-1015 Lausanne-Dorigny, SWITZERLAND Tel.: +41 (21) 692 3669 Fax.: +41 (21) 692 3635 E-mail: Wojciech.Gawelda@ipmc.unil.ch WWW: http://www.unil.ch/ipmc/docs/mc/wg/address.html *********************************************************************
Hi Wojciech, I'm afraid I haven't read that paper (just downloaded it) so I'm not sure what the 'global parameter mapping' they used is. It sounds as if it might be similar to what Norbert Weiher is trying to do for 'global parameter mapping', using ifeffit as the underlying engine. There was some discussion on this list in July with subject lines like 'Scanning potential surfaces'. Is this close to what you have in mind? I've never used AUTOFIT. It might be available from Mark Chance (still at Albert Einstein College of Medicine, and involved in running X9B at NSLS, as far as I know), but I don't know for sure. Hope that helps, --Matt On Tue, 19 Aug 2003, Wojciech Gawelda wrote:
Hi,
Recently I have come across some publications (Chance, et al., Biochemistry, 1996, 35, 9014-9023) where people have used global parameter mapping techniques with EXAFS in order to refine the obtained metal-ligand bond distances. If I�m right the code they developed was called AUTOFIT 1.0. Does anyone of you know whether this code is freely available on the web? Or if not, does anyone of you know about similar codes which are being used in EXAFS analysis. Please let me know about this issue and help me to find out more about this approach. Have a nice day!
Wojciech Gawelda
********************************************************************* Wojciech Gawelda
Institut de Physique de la Mati�re Condens�e Universit� de Lausanne IPMC-BSP CH-1015 Lausanne-Dorigny, SWITZERLAND
Tel.: +41 (21) 692 3669 Fax.: +41 (21) 692 3635 E-mail: Wojciech.Gawelda@ipmc.unil.ch WWW: http://www.unil.ch/ipmc/docs/mc/wg/address.html *********************************************************************
participants (2)
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Matt Newville
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Wojciech Gawelda