برنامجCrystals version 2008
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السلام عليكم
The CRYSTALS software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS, Cameron and specially recompiled versions of SIR92 and SHELXS
SIR and SHELXS provide the direct methods. CRYSTALS and Cameron provide everything else including
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built-in guidance and validation using The GUIDE.
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import and data reduction from many sources: SHELX/XPrep/WinGX format .ins/.hkl files, CAD4 .dat files, KappaCCD import.cif.
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automatic hydrogen atom placement using combined geometric/difference Fourier placement.
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interactive graphical model of the structure
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sophisticated refinement with constraints and restraints
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various reflection weighting schemes
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graphical analysis of data, results and residuals
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refinement of twinned data and discovery of unnoticed twin-laws using the ROTAX procedure
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fourier maps and contour plots. Output to contour, MCE3D, MapView and ASCII formats.
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Acta Cryst friendly CIFS and publication tables
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colour thermal ellipsoid plots in Cameron. Output in WMF, postscript, encapsulated postscript, CHIME formats or print directly to a Windows printer.
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powerful atomic and structural parameter editor
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رابط التحميل
http://www.4shared.com/account/file/...l08-setup.htmlموقع البرنامج
http://www.xtl.ox.ac.uk/download.html
