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