tkrojer
commented
3 years ago - enable export of selected datasets with pandda.export
- glitch fix: remove hydrogens before saving model for buster refinement (causes problems during ligand occupancy refinement)
- XChemRefine: removed "-q medium.q" option for non-DLS refinement
- added helper script to which reverts to last successful non-pandda refinement
- XChemCoot (pandda refinement): reading of (2)fofc.maps disabled because Coot 0.9 does not handle P1 maps well
- pandda.analyse: stopped sourcing obsolete pandda v0.2.12 at DLS