Cerius2 XAFS
Abstract
Extended X-ray Absorption Fine Structure (EXAFS) is widely used in the characterization of local atomic structure. C2.EXAFS provides a full interface to EXCURV92 - the leading EXAFS code, developed at Daresbury Laboratories, UK. C2.EXAFS offers trusted analysis techniques and a comprehensive simulation method which includes the calculation of multiple scattering paths.
Details
- Author
- Accelrys Software Inc.
- Platforms
- Cerius2 4.10 and 4.11 run on SGI/IRIX and Red Hat Enterprise Linux, respectively. The following are system requirements for the latest release, Cerius2 4.11.
- Cerius2 runs on Red Hat Enterprise Linux WS 3.0 and 4.o.
- Client-side graphics card NVIDIA Quadro 4 980XGL, FX3000, and FX1100
Standalone executables for LigandFit, Ligand/Score, LibDock, FindHotSpots, and Ludi_Score are also able to run outside of the Cerius2 environment, as detailed below:
Red Hat Enterprise Linux WS 3.0 or 4.0: LigandFit/LigandScore, LibDock, FindHotSpots, and Ludi_Score
SGI IRIX 6.5.21-6.5.25: LigandFit/LigandScore and Ludi_Score
IBM AIX 5.1.1: LigandFit/LigandScore and Ludi_Score
- Cerius2 4.10 and 4.11 run on SGI/IRIX and Red Hat Enterprise Linux, respectively. The following are system requirements for the latest release, Cerius2 4.11.
- Terms
- commercial product -- any Cerius2 product can be purchased via your Accelrys sales representative or distributor.
- Homepage
Cerius2: http://www.accelrys.com/products/cerius2/
XAFS module for Cerius2: http://www.accelrys.com/products/cerius2/cerius2products/exafs.html- Contact
on-line enquiry form: http://www.accelrys.com/about/enquiry.php
- Citation
1. EPSRC Daresbury Laboratory EXCURV92 Program, Binsted N., Campbell J.W., Gurman S.J., Stephenson P.C., 1991.
1. Gurman S.J., Binsted N., Ross I., J. Phys. C: Solid State Phys., 19, 1845-1861, 1986.