| |
|
|
Ticari Yazılımlar |
|
Cerius2 |
QSPR, QSAR, visualization, structure refinement, MOPAC, LigandFit, IR/Raman
prediction, ... |
| |
|
|
CrystalMaker |
Crystal and molecular structures visualization software |
|
|
|
|
Xtal |
Conversion of raw diffraction intensities
into structure factors, to the solution, refinement and publication of crystal
structures |
| |
|
|
Shareware/Freeware |
|
Convert |
Mass Powder XRD data interconversion and user-friendly unit-cell
refinement |
| |
|
|
CROMER |
Calculate the values of f' f" and photon interaction cross
sections |
|
|
|
Crystals |
Single crystal stucture refinement and
determination, includes SIR, SHELXS and CAMERON |
| |
|
|
DIRDIF |
Crystal structure solution package |
| |
|
|
IUCr VALIDATE |
Validate a CIF against the test criteria used by the IUCr |
| |
|
|
Koalariet Rietveld |
Rietfeld program using peak
fitting algorithms |
| |
|
|
LHPM/Rietica |
Rietveld Refinement Software |
| |
|
|
Ortep III |
Display of thermal ellipsoids, generates POV Ray scenes, .. |
|
|
|
|
ORTEX |
Ortex, Difabs, Absen, Draw, Modified Shelx 86, Shelx93 and
Shelx97 |
|
|
|
|
SHELX97 |
Crystal structure determination from single-crystal diffraction
data |
|
|
|
|
STRUPLO |
Produce polyhedral plots of Inorganic crystal structures |
|
|
|
|
PLATON |
Standard geometrical calculations (i.e.
bonds, angles, torsions, planes, rings, inter-molecular contacts (H-Bond
analysis), Coordination etc), tests (i.e. for missing symmetry, voids in the
lattice etc.), utilities (cell transformation, SHELXL input etc.),... |
|
|
|
|
THMA14c |
Thermal Motion Analysis program |
|
|
|
|
WinGX |
Solving, refining and analysing single crystal X-ray diffraction
data for small molecules |
|
|
|
|
XFit |
X-ray Line Profile Fitting Program |
|
|
|
|
Kaynak: |
http://www.claessen.net/chemistry/index.html |
