Pull requests: marrink-lab/vermouth-martinize

6 Open 57 Closed

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Pull requests list

test sphinx version

#541 by fgrunewald was closed Sep 1, 2023 Loading… updated Sep 1, 2023

Update CI reporting

#514 by fgrunewald was closed Apr 24, 2023 Loading… updated Apr 24, 2023

Sort nodes to group residues hacktoberfest-accepted Accepted Hacktoberfest contribution

#469 by pckroon was merged Feb 7, 2023 Loading… updated Feb 7, 2023

10

Add option to generate log entries from .ff files hacktoberfest-accepted Accepted Hacktoberfest contribution

#474 by pckroon was merged Dec 14, 2022 Loading… updated Dec 14, 2022

17

Install dssp=3.0 during CI

#489 by pckroon was merged Nov 30, 2022 Loading… updated Nov 30, 2022

6

Proline termini mappings hacktoberfest-accepted Accepted Hacktoberfest contribution

#476 by pckroon was merged Nov 4, 2022 Loading… updated Nov 4, 2022

2

Add citation of M3 small molecules (address issue #468) hacktoberfest-accepted Accepted Hacktoberfest contribution

#470 by ricalessandri was merged Oct 19, 2022 Loading… updated Oct 19, 2022

1

4

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… updated Oct 3, 2022

1

11

fix modifications publication all PRs required before publicatoin

#458 by fgrunewald was merged Sep 6, 2022 Loading… updated Sep 6, 2022

6

Cysteine

#402 by Tsjerk was closed Jul 15, 2022 Loading… updated Jul 15, 2022

21

Update run_pylint.py

#397 by fgrunewald was closed Mar 3, 2022 Loading… updated Mar 3, 2022

5

Docs

#373 by pckroon was merged Aug 23, 2021 Loading… updated Aug 23, 2021

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… updated Jul 7, 2021

1

Molecule grouper and water mapping hacktoberfest-accepted Accepted Hacktoberfest contribution

#322 by pckroon was closed Dec 2, 2020 Loading… updated Dec 2, 2020

21

Allow to ignore specific warnings hacktoberfest-accepted Accepted Hacktoberfest contribution

#316 by jbarnoud was merged Nov 13, 2020 Loading… updated Nov 13, 2020

1

6

Limit the line length for the command in the top

#314 by jbarnoud was merged Sep 30, 2020 Loading… updated Sep 30, 2020

5

New mapping file format and associated processor overhaul ready for merge

#172 by pckroon was merged Sep 13, 2019 Loading… updated Sep 29, 2020

5 of 8 tasks

4

122

Modifications termini ready for merge

#227 by pckroon was merged Apr 10, 2020 Loading… updated Sep 29, 2020

3 tasks done

9

Setup logging

#112 by pckroon was merged Sep 25, 2018 Loading… updated Sep 29, 2020

4 of 5 tasks

26

Update sphinx to 1.8.0

#109 by pckroon was merged Sep 13, 2018 Loading… updated Sep 29, 2020

[WIP] Makes Pylint happier WIP

#90 by jbarnoud was closed Jun 27, 2018 Loading… updated Sep 29, 2020

1

Coverage

#89 by pckroon was merged Jun 18, 2018 Loading… updated Sep 29, 2020

Get rid of old and unused code

#81 by pckroon was merged May 15, 2018 Loading… updated Sep 29, 2020

2

Prototype for blocks and links plus RTP parser

#1 by jbarnoud was merged Oct 26, 2017 Loading… updated Sep 29, 2020

56

Fix for DNA termini modifications

#303 by pckroon was merged Sep 29, 2020 Loading… updated Sep 29, 2020

16