Fix Kwalitee via CPAN
TESTS
- refactor test suite
Examples
- improve examples; add more
- add one with an extended class meta bizness
HackaMol::PeriodicTable needs to be reengineered
- the data should be of higher quality
- access needs to be fast
- some datastructures such as KNOWN_NAMES accessible, and such mappings can be mutable.
pdbqt files
- pull the tree of rotatable bonds groups
- pdbqt writing support
methods and attributes
- add an attribute that allows a map from names to symbols/Zs to be built in reading pdb files etc
DREAMS
- storage
- persistance
- MongoDB!
clean-up classes
- remove the QmMolRol attributes from being loaded by default. keep role for extensions. Make sure all current extensions pass tests. e.g. HackaMol::X::Vina depends on score attribute.
- based on reading PDBQT may be able to simplify/rethink atom rotations about a bond.
- improve the binning in AtomGroupRole. there is bin_this and then atom_bin stuff etc.
- improve use of hush_read attribute in MolReadRole. Currently, only used for the dirty carp in PDB reading.
Core Management
- figure out how to get Dist::Zilla to automate version numbers with some sanity