Release 2.1.0

23 August 2017

  • Added search by HET method for ligand PDBs

Release 2.0.1

4 August 2016

  • pyGtoP now compatible for molecuPy 1.0.0 and higher.
  • DatabaseLink and Gene objects now have method properties.

Release 2.0.0

9 July 2016

  • Most properties now accessible as methods.

    • Affects ligands, targets and interactions.
    • This removes the need to request these properties separately.
  • Gene object added.

  • Added ability to strip HTML from certain string outputs, such as name.

  • Added extra safeguards to GtoP web services requester to make more stable.

  • Changed handling of affinity values in Interactions.

    • Now provides a low and a high value as numbers.
    • String range accessible via the original JSON object.
  • This release is backwards-incompatible with the 1.x releases.

Release 1.0.1

19 May 2016

  • Version number fix.

Release 1.0.0

18 May 2016

  • molecuPy integration

    • PDB retrieval can now be by 4-char string, or molecuPy PDB object.
    • Ligands now have methods for locating themselves in a PDB file.

As molecuPy is a Python 3 package, this is the first version of pyGtoP to be incompatible with Python 2, hence the new major version number.

Release 0.4.0

22 April 2016

  • PDB functionality
    • Access GtoP PDB annotations for ligands, targets and interactions
    • Query RSCB PDB web services for PDBs of ligands, targets and interactions
  • Can now search for ligands by SMILES string

Release 0.3.1

31 March 2016

  • Bug fixes:
    • Interactions with median affinity values no longer throw errors
    • Interactions with string voltages no longer throw errors

Release 0.3.0

30 March 2016

  • Interaction functionality
    • Interaction objects now available, which can link to ligands and targets
    • Ligands can get their interactions, and by extension their targets
    • Targets can get their interactions, and by extension their ligands
  • Other features
    • Python 2 json strings no longer throw errors if they contain special characters
    • All species names now lowercase, regardless of how they are stored in the database

Release 0.2.0

23 March 2016

  • Target functionality
    • Single target access (by ID, name, or at random)
    • Multiple target access (all, or by providing a query)
    • Target family manipulation
    • Target species-variant handling
  • New Ligand features
    • Ligands now have methods for returning other ligands instead of lists of ligand IDs

Release 0.1.1

16 March 2016

  • Added Python 2 compatibility
  • Bug fixes:
    • Ligand string repr no longer throws attribute error

Release 0.1.0

15 March 2016

  • Ligand functionality
    • Single ligand access (by ID, name, or at random)
    • Multiple ligand access (all, or by providing a query)