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authorThomas White <taw@physics.org>2010-10-26 14:58:37 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:03 +0100
commit4888aba44e6de5ddf6b450c4fa1f411e18090d06 (patch)
tree91c8c8a414a0536c01a8df89559b9308b68b4b21 /doc/symmetry.txt
parent18e61c8671d72f56f6203fd49740e501cb53b784 (diff)
Update docs (a bit)
Diffstat (limited to 'doc/symmetry.txt')
-rw-r--r--doc/symmetry.txt15
1 files changed, 0 insertions, 15 deletions
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