Re: [ccp4bb] Looking for a free program for calculating powder diffraction pattern

2009-02-16 Thread Jon Wright
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 p

[ccp4bb] Looking for a free program for calculating powder diffraction pattern

2009-02-16 Thread wob
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