Polskie Towarzystwo Wzrostu Krysztalow im.prof. J.Czochralskiego(PTWK)
Polskie Towarzystwo Promieniowania Synchrotronowego
Inne Zestawienia Oprogromowania Chemicznego
Programowanie w Zastosowaniach Naukowych
oRtep-3 for Windows
S I R 9 7 A package for crystal structure solution by direct methods and refinement
hyperchem6.0 (wersja testowa 30 dni)
ArgusLab
is a molecular modeling program for Windows 95/98 and NT 4.0. ArgusLab consists of a user interface that supports OpenGL graphics display of molecule structures and runs quantum mechanical calculations using the Argus compute server. The Argus compute server is constructed using the Microsoft Component Object Model (COM).
Dalton
The Dalton Quantum Chemistry Program represents a powerful quantum chemistry program for the calculation of molecular properties with SCF, MP2 or MCSCF wave functions. The strengths of the program are mainly in the areas of magnetic and (frequency-dependent) electric properties, and for studies of molecular potential energy surfaces, both for static and dynamical investigations.
MOLMOL
is a molecular graphics program for displaying, analyzing, and manipulating the three-dimensional structure of biological macromolecules, with special emphasis on the study of protein or DNA structures determined by NMR. The program runs on UNIX and Windows NT/95/98/2000 and is freely available.
SHAKAL
Egbert Keller’s excellent molecular/crystal structure display program
Programy przerabiajace output Gaussiana i Gamessa na pliki SciAn
http://134.157.11.11/Pages/LECA/GP/Laurent/soft.html
ChemWeb
is a free chemistry drawing program for Web publishing
INNE ZESTAWIENIA SOFTWEARU CHEMICZNEGO
głównie krystalografia
duży wybór oprogramowania chemicznego
POV-Ray excellent ray-tracing program
GLView VRML viewer