Skip to content

Latest commit

 

History

History
164 lines (119 loc) · 3.95 KB

CHANGELOG.md

File metadata and controls

164 lines (119 loc) · 3.95 KB

1.4.10

  • Support &dataSource query parameter in web API.

1.4.9

  • Added _entity_poly_seq to output.
  • Added residueRange query.

1.4.8

  • Tweak in CIF writer (correctly escape values starting with $[])

1.4.7

  • Added _pdbx_nonpoly_scheme to /full and /assembly

1.4.6

  • Fixed a bug in _struct_sheet_range.id.

1.4.5

  • Fixed a BinaryCIF encoding bug in CIFTools.
  • Using spatial hash instead of "subdivisions tree" for 3D neighborhood search.

1.4.4

  • Added support for _struct_conn and _struct_conn_type categories.

1.4.3

  • Changes were made :)

1.4.2

  • Fixed a bug in _atom_site writer for symmetry/assembly data.
  • Optimized /ligandInteraction and /ambientResidues queries if they are used for large input sets (i.e. just /ligandInteraction).

1.4.1

  • Fixed a buf in assembly generation in LiteMol Core.

1.4.0

  • Updated to the latest LiteMol-core.
  • Refactored to get rid of Visual Studio project.

1.3.13

  • Updated to Core 3.0.0.

1.3.12

  • BinaryCIF update.

1.3.11

  • Updated /trace query.

1.3.10

  • Added _exptl category to the output CIF.

1.3.9

  • BinaryCIF 0.2.0 support (origin property in delta encoding).

1.3.8

  • Moved to using CIFTools.js writer from LiteMol.Core.

1.3.7

  • Improved BinaryCIF encoder.

1.3.6

  • Improved documentation.
  • Fixed a bug in _coordinate_server_query_params category.

1.3.5

  • Fixed a bug that cause /ligandInteraction, /symmetry and /assembly queries to not work.
  • Added a queue for consecutive requests to the same entry to avoid it being parsed multiple times.

1.3.4

  • Moved to TypeScript 2.0.
  • Added the option to automatically shut down the server.
  • Small bug fixes.

1.3.3

  • Updated to new core.
  • Attempts to counter the GC from collecting (and ultimately deoptimizing) code on long runs.

1.3.2

  • Added the /trace query.
  • Fixed a bug in the mmCIF assembly parsing.

1.3.1

  • Added lowPrecisionCoords option for queries.

1.3.0

  • Added support for choosing output format.
  • Added support for the BinaryCIF encoding.
  • Improved documentation.

1.2.10

  • Fixed _struct_sheet_range.conf_type_id -> _struct_sheet_range.sheet_id.

1.2.9

  • Additional info included in the _entity category.

1.2.8

  • Updated to newer version of Core that fixes issues with overlapping secondary structure.

1.2.7

  • Updated to newer version of Core that fixes more issues with assembly generation.

1.2.6

  • Updated to newer version of Core that fixes issues with symmetry/assembly generation.

1.2.5

  • Added support for .gz files.

1.2.4

  • Fixed issues with symmetry related asymId generation.
  • cartoons query now also includes het groups and waters.

1.2.3

  • Fixed a bug CIF writer with duplicate _entity records.
  • Fixed a bug with sometimes incorrect asym ids in symmetry related queries.
  • Basic Query API has been refactored in the core.

1.2.2

  • Documentation is now in separate source file.

1.2.1

  • Added support for modelId in queries.

1.2.0

  • Added caching support.
  • Refactored the API.
  • Support for local (file system) mode.

1.1.6

  • Better error reporting when parsing CIF failed.
  • Updated Core that fixes a CIF parser bug.

1.1.5

  • Fixed a CifWriter bug (regarding secondary structure).

1.1.4

  • Updated _entity_poly generation.

1.1.3

  • Secondary structure support for assemblies and symmetry mates.

1.1.2

  • Fix to entity poly.

1.1.1

  • Bug fix in writing entities for computed molecules (symmetry and assembly)

1.1.0

  • Various bug fixes
  • Rewrote the CIF writer
  • Categories in the output CIF should now be consistent with what's in the _atom_site category
  • Added support for additional categories in the output
  • Added support for symmetry mates and assemblies
  • Added coordinate server specific categories to the output CIF (_entity_poly, _struct_asym, _pdbx_struct_mod_residue)
  • Better error reporting

1.0.2

  • Experimental support for widePDB
  • Optimized CIF writer
  • Added optional multi-core support using 'cluster'
  • Added simple logging

1.0.1

  • Added /documentation

1.0.0

  • Initial release