View source for Cctbx

== What is cctbx? ==

== How to use it? ==

== Example: fill n unit cell randomly by an arbitrary number of spheres (atoms) ==
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 http://cci.lbl.gov/cctbx_sources/cctbx/development/random_structure.py , around the middle of the file, "class xray_structure".

== Documentation ==