[gmx-users] software for single crystal XRD pattern

[Makoto Yoneya]

Hi all:

Does anybody knows some freeware to calculate single crystal (2-D Qx-Qz)
X-ray diffraction pattern
from GROMACS or PDB atom coordinate data.

Makoto Yoneya (Dr.)
ERATO Yokoyama Nano-structured Liquid Crystal Project
http://www.nanolc.jst.go.jp/~yoneya/