Dear Owen, The GSAS package can do that:
http://www.ccp14.ac.uk/solution/gsas/It is important to put some values for the solvent contribution if you want to get a meaningful pattern. Shout if you need a hand.
Good luck, Jon wob wrote:
Hi,I'm looking for a free program for calculating powder diffraction pattern, given a PDB file. I googled for hours and only found a bunch of junks...Thanks for your help! Owen
