While in theory the following software is for single crystal, as I have mentioned before, WinGX has quite an ammount of functionality useful to Powder Diffraction types - Structure solving from extracted intensities; manipulation, validation, checking, visualisation and high quality output of crystal structure. GUI WinORTEP and GUI WinSTRUPLO will read Shelx, Crystals, GSAS, Fullprof, LHPM/Rietica amongst other formats. As also mentioned in previous a Fullprof/Winplotr email: To get your extracted intensities into a Shelx/WinGX happy format try using Armel Le Bail's "Overlap" - outputs to F's and Fsquares and has the option of using Raw manually extracted intensities as input (aka XFIT, Winfit). - Via: USA: http://www.cristal.org/also.html France: http://fluo.univ-lemans.fr:8001/also.html UK: http://www.ccp14.ac.uk/ccp/web-mirrors/armel/also.html Australia: ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/armel/also.html ====== Louis Farrugia's freely available WinGX 1.61 suite has now been released for Win32 and the 16bit Windows 3.1. http://www.chem.gla.ac.uk/~louis/software/ CCP14 Mirror (England): http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/ After downloading the software, email Louis Farrugia for the password to enable the software - [EMAIL PROTECTED] Nothing sinister here - just so notices of updates can be provided. ----- Some introductory WinGX tutorials are at: http://www.ccp14.ac.uk/tutorial/wingx/index.html ----- Updates include GUI WinORTEP, WinPlaton, GUI WinStruplo, Win32 Dirdif, THMA14c for PC, CIF2Shelx Noticable updates over previous versions are: Is both F and Fsquare Friendly Comes with or has slots for following structure solution: Sir92/Sir97 Dirdif Shelxs Patsee Range of Absorption Correction Options. After absorption correction, both structure refinement and solution software will prompt which raw or "corrected" data set you wish to use. Comes with or has slots for folowing structure viewing and output software: GUI WinORTEP3 Cameron (primary structure visualisation during solution and refinement) Pluton/Platon GUI WinStruplo Raster 3D Shackal User Defined programs that can read Shelx files. GUI Assembling Residues GUI Spacegroup and cell transformation GUI Generation of Electron Density Fourier Maps from Shelx FCF files. Ortep and Struplo can import a variety of file formats including Shelx, Crystals, GSAS, LHPM, Fullprof. ----- Fast Win32 versions of Shelx for registered Shelx users can be obtained from the Patrick McArdle's ORTEX site at: http://www.nuigalway.ie/cryst/ http://www.ccp14.ac.uk/ccp/web-mirrors/ortex/cryst/ ----- Lachlan. -- Lachlan M. D. Cranswick Collaborative Computational Project No 14 (CCP14) for Single Crystal and Powder Diffraction Daresbury Laboratory, Warrington, WA4 4AD U.K Tel: +44-1925-603703 Fax: +44-1925-603124 E-mail: [EMAIL PROTECTED] Ext: 3703 Room C14 NEW CCP14 Web Domain (Under heavy construction): http://www.ccp14.ac.uk
