Update docs (a bit)

2 files changed, 20 insertions, 15 deletions

diff --git a/doc/pattern_sim.txt b/doc/pattern_sim.txt
index e69de29b..f70123e1 100644
--- a/doc/pattern_sim.txt
+++ b/doc/pattern_sim.txt
@@ -0,0 +1,20 @@
+pattern_sim does not know about symmetry, so your input reflection list
+(give with "-i") must be expanded.  You can do this with:
+
+$ get_hkl -i myfile.hkl -o output.hkl -y mypointgroup -e 1
+
+
+
+The symmetry of the molecular model (the space group)
+-----------------------------------------------------
+
+get_hkl does not currently understand symmetry, which means you'll have to
+expand any molecular model (the PDB) out to P1 to get the correct results.  You
+can achieve that, for example, by loading it into Mercury, turning on "Packing"
+and re-saving.  Alternatively, you can do this using CCP4 with a command like:
+
+$ echo symgen P63 | pdbset xyzin model.pdb xyzout model-P1.pdb
+
+While on this subject, you might also want to include hydrogens in the model
+using something like:
+$ echo HYDROGENS APPEND | hgen xyzin model.pdb xyzout model-with-H.pdb
diff --git a/doc/symmetry.txt b/doc/symmetry.txt
index 4deafa35..451c4922 100644
--- a/doc/symmetry.txt
+++ b/doc/symmetry.txt
@@ -47,18 +47,3 @@ returns (by reference) the indices of the "n"th equivalent reflection. You just
 have to worry about the general position, because get_equiv() will work out the
 special positions for you.  get_general_equiv() must return the original indices
 when idx=0.
-
-
-The symmetry of the molecular model (the space group)
------------------------------------------------------
-
-get_hkl does not currently understand symmetry, which means you'll have to
-expand any molecular model (the PDB) out to P1 to get the correct results.  You
-can achieve that, for example, by loading it into Mercury, turning on "Packing"
-and re-saving.  Alternatively, you can do this using CCP4 with a command like:
-
-$ echo symgen P63 | pdbset xyzin model.pdb xyzout model-P1.pdb
-
-While on this subject, you might also want to include hydrogens in the model
-using something like:
-$ echo HYDROGENS APPEND | hgen xyzin model.pdb xyzout model-with-H.pdb