-
This crashes with an error. It would be better to fail gracefully
DIALS 1.0-0-g66ac5d4
The following parameters have been modified:
input {
template = "nonsense"
}
Traceback (most recent call las…
-
We probably don't have a test case for this...
Graemes-MBP-4:dials2 graeme$ xia2.multi_crystal_analysis
Environment configuration...
Python => /Users/graeme/svn/cctbx/build/../base/Python.framework…
-
For example, how to load `ccp4` file?
- if file is in the current folder or subfolder, let NGL handle
- If not: open file, read then passing binary to NGL?
hainm updated
8 years ago
-
May be make it simpler
``` python
model = nv.load_model(filename)
view.add_model(model)
view.add_trajectory(traj)
```
where
`traj` is derived class of `nglview.Trajectory` (so we can use pytraj/mdtr…
hainm updated
8 years ago
-
This is `xia2 -3di scaler=ccp4a nproc=1 njob=2 mode=parallel trust_beam_centre=True xia2_regression/test_data/mad_example`
xia2 folder copied to **`/dls/tmp/wra62962/directories/GAKWxnZc`**
```
(..)
…
-
It would be nice if we can define OUTPUT_DIRECTORY.
Otherwise, we have to duplicate working directory to run several refinements with different parameters in parallel.
-
arose updated
8 years ago
-
`xia2 multi_sweep_indexing=true read_all_image_headers=false trust_beam_centre=true -small_molecule -dials -ispyb_xml_out ispyb.xml image=/dls/i19-1/data/2016/mt13040-1/gs8-2030bu2/gs8-2030bu2_01_0000…
-
From DAC:
> Hi Dan: for the "to-do" list: the grid command should support output to
> the .cpp4 map format, which is almost universally used in crystallography
> and cryo-EM work. This would save th…
drroe updated
8 years ago
-
hi,
is there anyway to add the electron density map?
![](http://www.topsan.org/@api/deki/files/6426/=LLPdmmap.png)
hainm updated
8 years ago