You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Hi there.
I am trying to compare simulations from the same protein example 5udc.pdb given in tutorials for both SPI and nanocrystal diffraction (using singFEL and CrystFEL, respectively). I need to implement a real (arbitrary detector geometry) for the eventual simulation of dynamics for a protein, say, from cancer-/non-cancer cell. singFEL is probably the better choice, since it encompasses Xraypac.
However, the setup is different and confusing, so I've got a couple of questions:
2 - How to define such detectors for singFEL? Apparently it does not support .geom-format in SingFELPhotonDiffractorParameters() function. The example from Wiki is deprecated, yet the file s2e.geom given there looks far from CrystFEL-friendly one.
3 - Am I right that the tutorial for SPI is about a tiny area from a small detector, if compared to CrystFEL simple.geom example here? Otherwise I cannot explain why the results are so different for the same 5udc.pdb protein.
The text was updated successfully, but these errors were encountered:
Hi there.
I am trying to compare simulations from the same protein example
5udc.pdb
given in tutorials for both SPI and nanocrystal diffraction (using singFEL and CrystFEL, respectively). I need to implement a real (arbitrary detector geometry) for the eventual simulation of dynamics for a protein, say, from cancer-/non-cancer cell. singFEL is probably the better choice, since it encompasses Xraypac.However, the setup is different and confusing, so I've got a couple of questions:
1 - why didn't SimEx accept real detectors from CtystFEL examples, e.g. CSPAD detector geometry, as given in CrystFEL tutorial on indexamajig? The screenshots are below:
![image](https://user-images.githubusercontent.com/15617645/69802224-63503e00-11d9-11ea-8ef7-d921b6ac9587.png)
![image](https://user-images.githubusercontent.com/15617645/69802252-719e5a00-11d9-11ea-9c84-15f687bdd3af.png)
2 - How to define such detectors for singFEL? Apparently it does not support
.geom
-format inSingFELPhotonDiffractorParameters()
function. The example from Wiki is deprecated, yet the files2e.geom
given there looks far from CrystFEL-friendly one.3 - Am I right that the tutorial for SPI is about a tiny area from a small detector, if compared to CrystFEL
![image](https://user-images.githubusercontent.com/15617645/69803284-099d4300-11dc-11ea-8d1d-826c8185fa91.png)
simple.geom
example here? Otherwise I cannot explain why the results are so different for the same5udc.pdb
protein.The text was updated successfully, but these errors were encountered: