CrystFEL
CrystFEL is required by SimExLite.DiffractionCalculators.CrystfelCalculator
.
Install Backengine
The goal is to make sfall
and pattern_sim
available in your $PATH
.
sfall
is in CCP4, and pattern_sim
is in CrystFEL (version<=0.10.1).
Install CCP4
Please follow the instruction at https://www.ccp4.ac.uk/download/.
Install CrystFEL
Please follow the instruction at CrystFEL 0.10.1 Installation. For different versions, please see https://www.desy.de/~twhite/crystfel/install.html.
On Maxwell
CCP4 and CrystFEL are both available on the Maxwell cluster at DESY. They can loaded by:
module load maxwell ccp4 crystfel/0.10.1
Tested versions
Codes |
Versions |
---|---|
CCP4 |
7.1 |
CrystFEL |
0.9.1, 0.10.0, 0.10.1 |