xchem / XChemExplorer

6 stars 8 forks source link

v1.9.2 (28/06/2022) #415

Closed tkrojer closed 2 years ago

tkrojer commented 2 years ago

replace obsolete 'source /dls/science/groups/i04-1/software/pandda-update/ccp4/ccp4-7.0/bin/ccp4.setup-sh' with 'module load ccp4/7.1.016' before running pandda.export