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fix SmallMol get name property Build docs #46: Commit 60817af pushed by stefdoerr
December 15, 2023 13:04 2m 44s 1.8.17
1.8.17
December 15, 2023 13:04 2m 44s
fix SmallMol get name property Test code and publish package #661: Commit 60817af pushed by stefdoerr
December 15, 2023 13:04 6m 38s 1.8.17
1.8.17
December 15, 2023 13:04 6m 38s
fix SmallMol get name property Test code and publish package #660: Commit 60817af pushed by stefdoerr
December 15, 2023 13:04 7m 16s main
main
December 15, 2023 13:04 7m 16s
SmallMol: use the actual atom names if set. Allow sanitize and kekuli… Build docs #45: Commit 1497680 pushed by stefdoerr
December 15, 2023 12:55 2m 32s 1.8.16
1.8.16
December 15, 2023 12:55 2m 32s
SmallMol: use the actual atom names if set. Allow sanitize and kekuli… Test code and publish package #659: Commit 1497680 pushed by stefdoerr
December 15, 2023 12:55 6m 52s 1.8.16
1.8.16
December 15, 2023 12:55 6m 52s
SmallMol: use the actual atom names if set. Allow sanitize and kekuli… Test code and publish package #658: Commit 1497680 pushed by stefdoerr
December 15, 2023 12:41 17m 18s main
main
December 15, 2023 12:41 17m 18s
more flexible XYZ reader Test code and publish package #657: Commit 541da97 pushed by stefdoerr
December 14, 2023 12:43 17m 41s main
main
December 14, 2023 12:43 17m 41s
improve xyz read/write. add gz support for xyz and pdb Test code and publish package #656: Commit 3ceda3d pushed by stefdoerr
December 14, 2023 11:49 15m 33s main
main
December 14, 2023 11:49 15m 33s
added binpos reader Test code and publish package #655: Commit 82f8170 pushed by stefdoerr
December 14, 2023 09:17 12m 13s main
main
December 14, 2023 09:17 12m 13s
try without special case for windows Test code and publish package #654: Commit 68b8a74 pushed by stefdoerr
December 13, 2023 16:14 14m 50s main
main
December 13, 2023 16:14 14m 50s
minor fix in dcd reader Test code and publish package #653: Commit d1acd0c pushed by stefdoerr
December 13, 2023 15:52 11m 56s main
main
December 13, 2023 15:52 11m 56s
added TRR reader Test code and publish package #652: Commit 5a09f3b pushed by stefdoerr
December 13, 2023 14:43 17m 10s main
main
December 13, 2023 14:43 17m 10s
XTCreader: store array indexes in unsigned long long int to avoid int… Build docs #44: Commit c03981a pushed by stefdoerr
December 12, 2023 14:08 2m 39s 1.8.15
1.8.15
December 12, 2023 14:08 2m 39s
XTCreader: store array indexes in unsigned long long int to avoid int… Test code and publish package #651: Commit c03981a pushed by stefdoerr
December 12, 2023 14:08 13m 57s 1.8.15
1.8.15
December 12, 2023 14:08 13m 57s
XTCreader: store array indexes in unsigned long long int to avoid int… Test code and publish package #650: Commit c03981a pushed by stefdoerr
December 12, 2023 14:06 13m 25s main
main
December 12, 2023 14:06 13m 25s
warning about mutation of residues Test code and publish package #649: Commit 17d72e3 pushed by stefdoerr
December 11, 2023 11:58 17m 5s main
main
December 11, 2023 11:58 17m 5s
support for loop/gap modelling Test code and publish package #648: Commit a8fb40a pushed by stefdoerr
December 11, 2023 11:52 18m 4s main
main
December 11, 2023 11:52 18m 4s
Test code and publish package Test code and publish package #647: by stefdoerr
December 7, 2023 13:56 29m 26s 1.8.14
1.8.14
December 7, 2023 13:56 29m 26s
Build docs Build docs #43: by stefdoerr
December 7, 2023 13:56 2m 27s 1.8.14
1.8.14
December 7, 2023 13:56 2m 27s
delayed imports reduce dependencies Test code and publish package #646: Commit 92f55a1 pushed by stefdoerr
December 7, 2023 09:08 17m 42s main
main
December 7, 2023 09:08 17m 42s
delay networkx import. add initial bcif writer implementation Test code and publish package #645: Commit d59e8fc pushed by stefdoerr
December 7, 2023 08:43 12m 31s main
main
December 7, 2023 08:43 12m 31s
add broken PDB tests Test code and publish package #644: Commit fb1a4ad pushed by stefdoerr
December 7, 2023 07:51 11m 53s main
main
December 7, 2023 07:51 11m 53s
disable mmcif for now. doesn't work under Windows Test code and publish package #643: Commit 1c95525 pushed by stefdoerr
December 4, 2023 10:22 30m 2s 1.8.13
1.8.13
December 4, 2023 10:22 30m 2s
disable mmcif for now. doesn't work under Windows Build docs #42: Commit 1c95525 pushed by stefdoerr
December 4, 2023 10:22 2m 24s 1.8.13
1.8.13
December 4, 2023 10:22 2m 24s
disable mmcif for now. doesn't work under Windows Test code and publish package #642: Commit 1c95525 pushed by stefdoerr
December 4, 2023 10:05 14m 30s main
main
December 4, 2023 10:05 14m 30s
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