TmMolStar/CHANGELOG.md

RCSB Mol* Changelog

Semantic Versioning

[2.0.0]

Breaking changes

• loadStructureFromData() is not async anymore
• Replaced getPlugin() by plugin() getter
• Signature changes to setFocus(), select(), clearSelection(), and createComponent()
  • Effectively the overloaded methods were replaced by ones that use Target objects to reference residues/ranges
• Merged Range into Target
  • 'CIF' fields are now represented as camelCase (label_asym_id to labelAsymId)
  • Renamed label_seq_id to labelSeqRange (if referring to a range and not a single residue)
• ColorProp and PropsetProps now use Target
  • positions and selection props renamed to targets of type Target[]
• Changed loading methods signature
  • Added optional configuration parameter config?: {props?: PresetProps; matrix?: Mat4; reprProvider?: TrajectoryHierarchyPresetProvider, params?: P}
  • The loading configuration includes an optional trajectory preset provider TrajectoryHierarchyPresetProvider
• Remove alignMotif methods (& pecos-integration) as the strucmotif service now reports RMSD and transformations for all hits

[1.9.0] - 2021-09-29

Added

• Integrate PDBe/AlphaFold confidence coloring theme

[1.8.8] - 2021-09-28

General

• Mol* 2.3.1

[1.8.7] - 2021-08-25

General

• Mol* 2.2.3

[1.8.6] - 2021-08-23

General

• Display warning if membrane preset calculation fails
• Add fallback if membrane preset calculation fails

[1.8.5] - 2021-08-11

General

• Update strucmotif integration with rcsb.org

[1.8.4] - 2021-08-03

General

• Mol* 2.2.1
• Reset camera for membrane preset

[1.8.3] - 2021-07-23

General

• Rename 'Structural Motif Search' to 'Structure Motif Search'

[1.8.2] - 2021-07-20

Bug fixes

• Post-pare for pecos API changes

[1.8.1] - 2021-07-16

Added

• Prepare for pecos API changes

[1.8.0] - 2021-07-13

Added

• Moved code for motif alignment (i.e., talking to pecos) here

[1.7.4] - 2021-07-12

Bug fixes

• structure selection: handle selection of full chains

[1.7.3] - 2021-07-08

Bug fixes

• Strucmotif: relative URLs when running inside of sierra

[1.7.2] - 2021-07-05

Bug fixes

• Code that determines assemblyId is now aware of label_asym_id

[1.7.1] - 2021-07-02

Bug fixes

• Strucmotif UI now reports chained operators that can be used by sierra/arches/strucmotif
• Motif preset now works if no assemblyId was provided

Breaking Changes

• Rename experimental 'structOperExpression' prop to 'struct_oper_id'

[1.7.0] - 2021-06-24

Added

• Visualize (an arbitrary number of) structural motifs

Bug fixes

• Fix order of operators in strucmotif queries

[1.6.9] - 2021-06-23

Added

• Mol* 2.0.7 & some internal cleanup

[1.6.8] - 2021-06-11

Added

• Hide all but 2Fo-Fc map (RO-2751)

[1.6.6] - 2021-06-08

Added

• Special density preset with 0(-ish) radius for ligands (RO-2751)

[1.6.5] - 2021-06-03

Bug fixes

• Access to maps.rcsb.org via HTTPS

[1.6.4] - 2021-06-02

Added

• Option to show membrane orientation preset

[1.6.3] - 2021-06-01

Bug fixes

• Improve quality of ANVIL prediction
• Improve ANVIL & ASA calculation performance

[1.6.2] - 2021-05-12

Bug fixes

• Clean up viewer init routine

[1.6.1] - 2021-05-04

Bug fixes

• Multiple region selection (only last one was selected) bug fixed

[1.6.0] - 2021-05-03

Viewer class new methods

• Added new methods for selection, creating components and focus

[1.5.1] - 2021-04-30

Bug fixes

• 'Membrane Orientation' preset now honors assembly-ids

[1.5.0] - 2021-04-22

Added

• feature density preset for ligand validation

Bug fixes

• hide 'Membrane Orientation' representation from UI

[1.4.2] - 2021-04-20

Bug fixes

• fix measurement labels
• hide 'Membrane Orientation' preset from UI

[1.4.1] - 2021-04-06

Bug fixes

• structure export: getting transformed data

[1.4.0] - 2021-04-02

Added

• membrane orientation preset by ANVIL

[1.3.5] - 2021-03-25

Bug fixes

• make sure only structure objects are filtered in for export
• do not create unit cell object when alignments are loaded

[1.3.4] - 2021-03-25

Bug fixes

• structure export: getting children for a referenced node correctly

[1.3.3] - 2021-03-24

Bug fixes

• build

[1.3.2] - 2021-03-24

General

• major version update of Mol*

[1.3.1] - 2021-03-11

Bug fixes

• this is a dummy release

[1.3.0] - 2021-03-10

Added

• expose video export option

[1.2.3] - 2021-03-03

Bug fixes

• warn when residues are more than 15 A apart (RO-2597)

[1.2.2] - 2021-02-26

Bug fixes

• switch to 'model' when ligand preset is requested but ligand is not present in assembly '1' - HELP-16678

[1.2.1] - 2021-02-18

Bug fixes

• limit number of exchanges per position
• hide State Tree panel

[1.2.0] - 2021-02-16

General

• structure alignment data visualization

[1.1.0] - 2021-02-08

General

• structural motif search wizard

[1.0.35] - 2021-02-08

General

• Mol* 1.3.0

[1.0.34] - 2021-02-05

General

• bumps dependencies

[1.0.33] - 2021-02-02

General

• let's call this the initial release