Save this: from cctbx.development import random_structure from cctbx import sgtbx
rs = random_structure.xray_structure( space_group_info=sgtbx.space_group_info(symbol="P212121"), unit_cell=(20,30,40,90,90,90), elements="random", n_scatterers=10) rs.show_summary() rs.show_scatterers() Then: cctbx.python filename You will need cctbx, either as included in CCP4 or phenix, or the bare libraries from cctbx.sf.net -> Downloads. There are many more options to direct the generation of the random structure. See cctbx/development/random_structure.py: http://cci.lbl.gov/cctbx_sources/cctbx/development/random_structure.py Around the middle of the file, "class xray_structure" ________________________________ From: "Mueller, Juergen-Joachim" <[EMAIL PROTECTED]> To: CCP4BB@JISCMAIL.AC.UK Sent: Friday, November 28, 2008 1:59:32 AM Subject: [ccp4bb] Program to fill unitcell randomly Program to fill unitcell randomly Dear all, does anybody know a program to fill an unit cell a,b,c randomly by an arbitrary number of spheres (atoms)? Thank you for help, Juergen
