= Phenix = === Fit Ligand === * Controls for hiding density near existing structure - Still needs tweaking because "mark maximum" doesn't know about surface display * Improved reliability of outline box display by using different API * Added "conformers" command option * Elaine added help page * Put some less-often-used options into an "Options" area to simplify initial dialog * Added dialog to solicit desired action if conflicting residue number provided Phenix team will discuss what tool to work on next. = ChimeraX completed = * Find Cavities/kvfinder improvements (Tristan suggestions) - Specify search box by using a set of atoms (and a pad value) instead of x/y/z/width/height/depth - Allow non-polymeric atoms to be treated as part of the receptor * Scene interpolation - 2D labels - Ribbon styles - Better interpolation of pseudobonds and coordinate sets * Made Gromacs reader use less peak memory * Made local Modeller execution not mistakenly require specifying a license key * Profile Grid - Show changes in prevalence based on chosen cells - Allow cells corresponding to a particular sequence to be chosen * Added 'is_reference' attribute to Sequence class - For sequences whose numbering should not be changed regardless of structure association (e.g. !UniProt) * OpenMM doesn't like non-unique names in a residue * Now that Qt no longer remembers editor custom colors automatically, do it ourselves * Render By Attribute - Programmatically configurable - Show it in more cases: !Clashes/Contacts tools; defattr; measure mapvalues