Skip to content
Open
Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
43 commits
Select commit Hold shift + click to select a range
52d802e
common plotting util that reports can leverage
keiran-rowell-unsw Mar 31, 2026
8cf6ebd
A common generate_report that leverages plot_utils
keiran-rowell-unsw Mar 31, 2026
04f07f3
remove bs4 since HTML replace is so simple now
keiran-rowell-unsw Mar 31, 2026
1839c30
separate MSA and PAE DUMMY files to avoid clashes and check generically
keiran-rowell-unsw Mar 31, 2026
3570829
remove matcher because sort_structures_by_rank() in plot_utils.py han…
keiran-rowell-unsw Mar 31, 2026
77af3e3
remove hard to read inconsistent whitespace in channel construction
keiran-rowell-unsw Mar 31, 2026
3b28bed
remove blank divs in the report is the metrics aren't there
keiran-rowell-unsw Mar 31, 2026
a22ab62
simplify post_processing by not having a seq_coverage.png
keiran-rowell-unsw Mar 31, 2026
9c26e56
remove write_html since I don't think the intermediates have advantag…
keiran-rowell-unsw Mar 31, 2026
461f3bb
remove unused multiqc channel which used to just plot plddt, and bloc…
keiran-rowell-unsw Mar 31, 2026
8c2edcd
Use modeChannel() everywhere to stop exploding verbosity just to map …
keiran-rowell-unsw Mar 31, 2026
2cabebc
radically reduce post_processing put channels by just accessing param…
keiran-rowell-unsw Mar 31, 2026
42722b1
Use modeChannel to create list even for single files, god I love mode…
keiran-rowell-unsw Mar 31, 2026
aaf80a8
newline replacement might be causing mis-rendered PDB structure
keiran-rowell-unsw Mar 31, 2026
6ce3d3c
trailing whitespace.......
keiran-rowell-unsw Mar 31, 2026
7988a1d
make boltz follow non _raw .tsv naming convention and use _npz for un…
keiran-rowell-unsw Mar 31, 2026
75c02b9
emit ordering conistency
keiran-rowell-unsw Mar 31, 2026
516f23f
update snapshots; fix Boltz plddt stub naming exception
keiran-rowell-unsw Mar 31, 2026
1e662a5
prettify seq coverage plot and drop uneeded y-axis 2
keiran-rowell-unsw Mar 31, 2026
c5187f9
lock seq cov axes
keiran-rowell-unsw Mar 31, 2026
54b6b25
remove odd nxf-tmp file
keiran-rowell-unsw Mar 31, 2026
a037b5a
Set max PAE, plots autosize to div
keiran-rowell-unsw Mar 31, 2026
8b75498
Chain, residue, atom, only heavy-atoms. Reverting to v2.0 main as com…
keiran-rowell-unsw Mar 31, 2026
f1c4b37
stub no longer calls obselete generate_comparison_report.py
keiran-rowell-unsw Mar 31, 2026
b827988
remove metrics optional output channels which currently can't be gene…
keiran-rowell-unsw Apr 2, 2026
737b79f
AF2 emits corrected
keiran-rowell-unsw Apr 2, 2026
73159d3
IO deserialisation util to handle BioPython objects the whole way thr…
keiran-rowell-unsw Apr 2, 2026
ec5f30c
Restore comparison report functionality (and tool labelled) that was …
keiran-rowell-unsw Apr 2, 2026
b7e0736
pre-commit linter
keiran-rowell-unsw Apr 2, 2026
55b266b
pass labels as args
keiran-rowell-unsw Apr 2, 2026
e402143
remove the save_imove the save image args & logic since plotly expose…
keiran-rowell-unsw Apr 2, 2026
3073956
restore missing fig rereturn()s
keiran-rowell-unsw Apr 2, 2026
a3cb4db
trailing whitespace......
keiran-rowell-unsw Apr 2, 2026
41d9bc2
report_type, don't overload 'type'
keiran-rowell-unsw Apr 2, 2026
b18a329
camelCase
keiran-rowell-unsw Apr 2, 2026
7dab2f9
handle mixed input pdb/cif filetype for structure alignment
keiran-rowell-unsw Apr 2, 2026
bae152a
update snapshots
keiran-rowell-unsw Apr 2, 2026
de2b560
restore accidentally deleted npz arg
keiran-rowell-unsw Apr 2, 2026
2f1fb4f
lock plddt x-axis max
keiran-rowell-unsw Apr 2, 2026
18b4884
no other mode names mode in plddt, removing and move should be consit…
keiran-rowell-unsw Apr 2, 2026
e6f18da
no more static image writing at all
keiran-rowell-unsw Apr 2, 2026
a8c14d1
whoops index of [0] still in all file format checking
keiran-rowell-unsw Apr 2, 2026
4c153c6
typo
keiran-rowell-unsw Apr 2, 2026
File filter

Filter by extension

Filter by extension


Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
File renamed without changes.
File renamed without changes.
820 changes: 0 additions & 820 deletions assets/comparison_template.html

This file was deleted.

226 changes: 80 additions & 146 deletions assets/report_template.html

Large diffs are not rendered by default.

5 changes: 0 additions & 5 deletions bin/extract_metrics.py
Original file line number Diff line number Diff line change
Expand Up @@ -25,11 +25,6 @@
#...
# ^ overwrought with duplication, but can catch program specific weirdness, and lower barrier to adding new programs in the future.

# TODO: Chain-wise iPTM since the relevant interface might not always be the average of all.
# Would complete Issue #308
# Proposed format is pair-interfaces in rows, structure inference number in cols: https://github.com/nf-core/proteinfold/pull/312#issuecomment-2917709432
# KR - changed to have both sides of the matrix, because it's not symmetrical (see comment in Issue #306)

# Mapping of characters to integers for MSA parsing.
# 20 is for unknown characters, and 21 is for gaps.
AA_to_int = {
Expand Down
324 changes: 0 additions & 324 deletions bin/generate_comparison_report.py

This file was deleted.

Loading
Loading