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Pull requests: marrink-lab/vermouth-martinize
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Proline termini mappings
hacktoberfest-accepted
Accepted Hacktoberfest contribution
#476
by pckroon
was merged Nov 4, 2022
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Add option to generate log entries from .ff files
hacktoberfest-accepted
Accepted Hacktoberfest contribution
#474
by pckroon
was merged Dec 14, 2022
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Add citation of M3 small molecules (address issue #468)
hacktoberfest-accepted
Accepted Hacktoberfest contribution
#470
by ricalessandri
was merged Oct 19, 2022
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Sort nodes to group residues
hacktoberfest-accepted
Accepted Hacktoberfest contribution
#469
by pckroon
was merged Feb 7, 2023
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merge eunit and region flag
hacktoberfest-accepted
Accepted Hacktoberfest contribution
publication
all PRs required before publicatoin
#465
by fgrunewald
was merged Oct 3, 2022
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fix modifications
publication
all PRs required before publicatoin
#458
by fgrunewald
was merged Sep 6, 2022
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Molecule grouper and water mapping
hacktoberfest-accepted
Accepted Hacktoberfest contribution
#322
by pckroon
was closed Dec 2, 2020
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Remove any unknown atoms that are not matched to any known modification
#280
by pckroon
was merged Aug 4, 2020
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Added multiprocessing to MakeBonds to speed up bond creation
#232
by mjtadema
was closed Mar 3, 2020
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Change make_bonds processor to use atom names and keep residues intact
ready for merge
#222
by pckroon
was merged Feb 4, 2020
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Add sanity check to modification data parser, fix typo in data file
#217
by pckroon
was merged Nov 29, 2019
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