Foldcomp v0.0.3

Foldcomp v0.0.3

We have much improved Foldcomp since its first release

Features

Foldcomp CLI

• Multiple input file types including tarball, gzipped tar, and file lists
• Foldcomp now handles structure files with multiple chains or discontinous fragments.
• Reduced RMSD to ~0.08Å with default parameter
• Overwriting is forbidden by default and can be enabled with --overwrite or -y
• Reduced copying data by applying span range

Foldcomp Python API

• get_data is now available
• Given ids are checked when opening foldcomp database

Foldcomp Databases

• Added ESMatlas v2023_02: esmatlas_v2023_02
• Added AlphaFold DB cluster representatives (AlphaFold database clustering)
  • afdb_rep_v4: All cluster representatives
  • afdb_rep_dark_v4: Dark cluster representatives

What's Changed

• Sync dev with master by @khb7840 in #10
• Sync with master by @khb7840 in #12
• Add recursive directory read-in mode by @milot-mirdita in #13
• Sync master with dev by @khb7840 in #16
• Input processor wip by @khb7840 in #21
• Updated to handle database input by @khb7840 in #22

Full Changelog: v0.0.2...v0.0.3