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Annamalai CHANDRASEKARAN's Computer & Program Experience:

  • Programs related to: OFET and Organic Solar Cells (Python)
  • FORTRAN Programs:
    • XTALDB.FOR ** To handle the recent KappaCCD's high output of datasets, this small database program has been written. It stores some sample, cell and data information in ascii database and currently searches on cell, formula, crystal code. Also it generates summary for: Space Groups, User/Group and Annual data.
    • CIF2INS.FOR ** Creates .INS (and .HKL) files for SHELXS (and SHELXL) from KappaCCD's IMPORT.CIF file.
    • XRAYACS.FOR ** CAD4 Single crystal X-ray data processing (Intensity calculation, LP correction & absortion corrections; either F or F2). More than 1500 lines.
    • SELECT.FOR ** To select strong reflections in desired angle range for refining the cell.
    • CHIACS.FOR ** For selecting reflections for PSI data collection (Symmetry equivalents can be searched upto orthorhombic only).
    • DATAFALL.FOR ** To study the fall of intensity as a function of Theta.
    • FOFC.FOR ** To convert the CIF format Fo-Fc output of SHELXL-93 to three reflections per line for WINWORD.
    • CHNACS.FOR ** Calculation of elemental % from Empirical Formula
    • NMRTC.FOR ** Calculation of activation energy from NMR Tc (Coalescense Temperature) and frequency difference; it can back calculate where the Tc will be for peaks for which Tc was not observed but activation energy has been calculated from other peaks.
  • Typing Thamil2 in English made easy!!! (see the THAMIL2 page)
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