23 August 2017
- Added search by HET method for ligand PDBs
4 August 2016
- pyGtoP now compatible for molecuPy 1.0.0 and higher.
- DatabaseLink and Gene objects now have method properties.
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.
19 May 2016
- Version number fix.
18 May 2016
- 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.
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
31 March 2016
- Bug fixes:
- Interactions with median affinity values no longer throw errors
- Interactions with string voltages no longer throw errors
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
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
16 March 2016
- Added Python 2 compatibility
- Bug fixes:
- Ligand string repr no longer throws attribute error
15 March 2016
- Ligand functionality
- Single ligand access (by ID, name, or at random)
- Multiple ligand access (all, or by providing a query)