= Phenix = === Fit Loops === * If structure lacks sequence information, tell user how to supply it === Fit Ligand === * Added instructions for blob picking = ChimeraX completed = * Model-panel interface for grouping models * Profile Grid - Show number of chains associated with cell mouse is in (in addition to number of sequences) * Minimization - Improved finding the OpenMM atom type for single-atom ions - Temporary kludge to fix charges in non-standard residues - If GPU fails, fall back to CPU - Don't protonate sulfurs coordinating metals - Tool * Speeded up opening large ligand files by 2x - Bottleneck was chain-reporting code for NMR ensembles * Altloc Explorer - Button to show/hide all existing altlocs - Report occupancy in tooltip (also in main 3D window) * !ProfileGrid - Reporting column info on the fly too slow for very large alignment; for those only report on hover * Added ability to time out / continue long-running blocking jobs * Alert users to use ASCII paths for Gromacs trajectories * Scenes - Interpolation of coordinate sets - Catch error restoring scene with deleted structure elements, warn user, and restore what we can - Remember more structure attributes in scenes, and interpolate simple numeric ones - Tool: - Drag and drop to reorder scenes - When adding scene, ignore conflicting name if it was automatically generated