Releases · UCLOrengoGroup/cath-alphaflow

What's Changed

Split commands to separate files by @sillitoe in #5
Move db credentials to config by @sillitoe in #6
Create model to handle AF2 domain/chain ids by @sillitoe in #7
Add config printer by @sillitoe in #8
Added option for filter-sse to cli by @bordin89 in #9
Calculate sse by @bordin89 in #10
First version of pLDDT and LUR module by @bordin89 in #11
Add tests for optimise chopping boundaries by @sillitoe in #12
add distinct to uniprot select statement by @sillitoe in #13
Add ability to apply chopping to AF structures by @sillitoe in #16
allow chopping based on uniprot ids by @sillitoe in #17
fix parsing domain ids by @sillitoe in #18
Add cif chopping by @sillitoe in #19
Add KinFam workflow by @sillitoe in #20
GH023: add simple workflow to test nextflow by @sillitoe in #24
Improvements to basic workflow by @sillitoe in #27
Processes abstracted into a shared file by @Rachel-Alcraft in #28
added a platforms folder for site specific config by @robertvi in #31
Gh33 setup for rjvs vm by @robertvi in #34
minor changes to rjvs vm platform files by @robertvi in #35
Working qsub config with platform specific config file for CS, new notes in main README by @robertvi in #39
Gh032 myriad config by @Rachel-Alcraft in #41
Added submodules for the test workflow as a start to refactoring by @Rachel-Alcraft in #42
Dssp installation info added to readme by @Rachel-Alcraft in #48
Gh049 oracledocs by @Rachel-Alcraft in #50
Allow dataset files to be created from DB / CRH files by @sillitoe in #52
GH022: load af archives to mongo by @sillitoe in #26
Add command to calculate MD5 lookup by @sillitoe in #51
filter out uniprot_domain_id header by @robertvi in #53
Compare md5 crhs by @bordin89 in #54
Gh044 testflow by @Rachel-Alcraft in #55
Some test workflow integration with database and files functions by @Rachel-Alcraft in #57
Improve dataset provider by @sillitoe in #58
Foldseek by @bordin89 in #15
Load AF files to mongodb by @sillitoe in #60
CS benchmarking by @robertvi in #62
Integrated file workflow as alt to database by @Rachel-Alcraft in #63
Add globularity module and README.manual_run.md by @bordin89 in #59
Add globularity measure for generic PDB files by @sillitoe in #65
Add globularity tests before a refactor by @sillitoe in #66
Process globularity from directory of PDB files (without chopping) by @sillitoe in #67
fix globularity from pdb dir by @sillitoe in #68
Make choppings work with (non-numeric, non-sequential) pdb residue labels by @sillitoe in #69