Hi Jeff,You're welcome.
A small warning: in input.cpp I'm currently using strtod(). Some platform look at the "locale" (man locale) which can break parsing floating-point numbers (e.g. the germans use 1,234 instead of 1.234). To avoid this, we set LC_ALL=C in our command-line launchers (see e.g. bin/libtbx.python in your cctbx build directory). You may have to do this in your environment, too, if you want to support your program internationally.
After I stopped working on iotbx/pdb I wrote a Fortran conversion/emulation tool (fable, inside cctbx) which includes a strtod() replacement. We could use that to avoid the locale surprises.
Ralf
On Wed, Dec 14, 2011 at 12:52 PM,
<vanv0059@umn.edu> wrote:
Thanks for your help (saves me many headaches from otherwise having to write my own efficient and valid pdb parser).
--Jeff