Skip to content

Pull requests: marrink-lab/vermouth-martinize

New pull request New
Clear current search query, filters, and sorts
6 Open 57 Closed
6 Open 57 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

test sphinx version
#541 by fgrunewald was closed Sep 1, 2023 Loading…
Update CI reporting
#514 by fgrunewald was closed Apr 24, 2023 Loading…
Install dssp=3.0 during CI
#489 by pckroon was merged Nov 30, 2022 Loading…
6
Proline termini mappings hacktoberfest-accepted Accepted Hacktoberfest contribution
#476 by pckroon was merged Nov 4, 2022 Loading…
2
Add option to generate log entries from .ff files hacktoberfest-accepted Accepted Hacktoberfest contribution
#474 by pckroon was merged Dec 14, 2022 Loading…
17
Add citation of M3 small molecules (address issue #468) hacktoberfest-accepted Accepted Hacktoberfest contribution
#470 by ricalessandri was merged Oct 19, 2022 Loading…
1
4
Sort nodes to group residues hacktoberfest-accepted Accepted Hacktoberfest contribution
#469 by pckroon was merged Feb 7, 2023 Loading…
10
merge eunit and region flag hacktoberfest-accepted Accepted Hacktoberfest contribution publication all PRs required before publicatoin
#465 by fgrunewald was merged Oct 3, 2022 Loading…
1
11
fix modifications publication all PRs required before publicatoin
#458 by fgrunewald was merged Sep 6, 2022 Loading…
6
Cysteine
#402 by Tsjerk was closed Jul 15, 2022 Loading…
21
Update run_pylint.py
#397 by fgrunewald was closed Mar 3, 2022 Loading…
5
Docs
#373 by pckroon was merged Aug 23, 2021 Loading…
6 tasks done
1
15
Set the warning type when making bonds does not find a block
#344 by jbarnoud was merged Jul 7, 2021 Loading…
1
Molecule grouper and water mapping hacktoberfest-accepted Accepted Hacktoberfest contribution
#322 by pckroon was closed Dec 2, 2020 Loading…
21
Allow to ignore specific warnings hacktoberfest-accepted Accepted Hacktoberfest contribution
#316 by jbarnoud was merged Nov 13, 2020 Loading…
1
6
Limit the line length for the command in the top
#314 by jbarnoud was merged Sep 30, 2020 Loading…
5
Fix for DNA termini modifications
#303 by pckroon was merged Sep 29, 2020 Loading…
16
Implement VMD bonds-from-distance algorithm
#286 by pckroon was merged Aug 4, 2020 Loading…
1
10
Remove any unknown atoms that are not matched to any known modification
#280 by pckroon was merged Aug 4, 2020 Loading…
1
2
Implement stricter share_moltype
#278 by pckroon was merged Jul 27, 2020 Loading…
1
2
Mention released versions in readme. Fix typo.
#269 by pckroon was merged Jun 8, 2020 Loading…
1
preserve meta when converting block to molecule
#245 by fgrunewald was merged Apr 17, 2020 Loading…
6
Itp reader
#237 by fgrunewald was merged Apr 16, 2020 Loading…
90
Makebonds molecule
#234 by mjtadema was closed Jun 10, 2020 Loading…
2
Added multiprocessing to MakeBonds to speed up bond creation
#232 by mjtadema was closed Mar 3, 2020 Loading…
2
ProTip! Add no:assignee to see everything that’s not assigned.