| 18 | | * Find Cavities/kvfinder improvements (Tristan suggestions) |
| 19 | | - Specify search box by using a set of atoms (and a pad value) instead of x/y/z/width/height/depth |
| 20 | | - Allow non-polymeric atoms to be treated as part of the receptor |
| 21 | | * Scene support |
| 22 | | - 2D label interpolation |
| 23 | | - Ribbon styles |
| 24 | | - Better interpolation of pseudobonds and coordinate sets |
| 25 | | * Made Gromacs reader use less peak memory |
| 26 | | * Made local Modeller execution not mistakenly require specifying a license key |
| 27 | | * Profile Grid |
| 28 | | - Show changes in prevalence based on chosen cells |
| 29 | | - Allow cells corresponding to a particular sequence to be chosen |
| 30 | | - Headers containing individual sequences |
| 31 | | - Turn off auto-association for very large alignments |
| 32 | | * Added 'is_reference' attribute to Sequence class |
| 33 | | - For sequences whose numbering should not be changed regardless of structure association (e.g. !UniProt) |
| 34 | | * OpenMM |
| 35 | | - Doesn't like non-unique names in a residue |
| 36 | | - Doesn't like missing backbone atoms |
| | 18 | * Have !ViewDock hotkeys honor the *sorted* column order |
| | 19 | * Trajectory clustering |
| | 20 | * Support dark mode in sequence viewer |
| | 21 | * Added underlying atomic support for straight helices |
| | 22 | * Option to scroll to newly selected cells in Profile Grid |
| | 23 | * "omit" keyword for trajectories |
| | 24 | * Added 'dockerize' build target |
| | 25 | * Fixed bug with mis-positioned histogram markers when placed outside data range |