Dear George, > I like your hybrid_ 36 scheme and will implement it and the two character > hain IDs PDB file columns 21 and 22, right justified) when I next update > HELXL. Of course I will need to do some programming because of the SHELX > zero dependency' philosophy, but it seems to me to be straightforward.
You can copy the Fortran-77 code posted at our web site directly into your source code without introducing dependencies of any kind (technical or license). The same is true for the Fortran-90, ANSI C, and Python versions. Cheers, Ralf P.S.: The code posted at our web page is regularly (automatically) exercised using all Fortran compilers available to me, incl. many different g77 and gfortran versions, ifort, IRIX f77 and Tru64 f77. ____________________________________________________________________________________ Boardwalk for $500? In 2007? Ha! Play Monopoly Here and Now (it's updated for today's economy) at Yahoo! Games. http://get.games.yahoo.com/proddesc?gamekey=monopolyherenow