diff options
| author | Thomas White <taw@physics.org> | 2010-11-12 16:45:13 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:05 +0100 |
| commit | 55b16c49424cd61d6a00a167862c390c274c307e (patch) | |
| tree | f60e375efb95f495e0ae7f29c14d3aa4578246e9 /doc | |
| parent | abb67df4b77364b20a64b43ee3e427cacd60e22f (diff) | |
Add more symmetries, update docs about cell settings
Diffstat (limited to 'doc')
| -rw-r--r-- | doc/indexamajig.txt | 8 | ||||
| -rw-r--r-- | doc/pattern_sim.txt | 7 |
2 files changed, 15 insertions, 0 deletions
diff --git a/doc/indexamajig.txt b/doc/indexamajig.txt index eca053e4..a602a87d 100644 --- a/doc/indexamajig.txt +++ b/doc/indexamajig.txt @@ -95,6 +95,14 @@ Always using a right-handed cell means that the Bijvoet pairs can be told apart. +A Note about Unit Cell Settings +------------------------------- + +CrystFEL's core symmetry module only knows about one setting for each unit cell. +You must use the same setting. That means that the unique axis (for cells which +have one) must be "c". + + Unconventional Use ------------------ diff --git a/doc/pattern_sim.txt b/doc/pattern_sim.txt index f70123e1..cbbcb749 100644 --- a/doc/pattern_sim.txt +++ b/doc/pattern_sim.txt @@ -18,3 +18,10 @@ $ 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 + + +A Note about Unit Cell Settings +------------------------------- + +Please be sure to read the "Note about Unit Cell Settings" in the documentation +for indexamajig. |