Maarten L. Hekkelman
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39644c1bd1
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Update validation code, added pdbx_item_enumeration check and test case-sensitive when required.
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2026-04-13 10:38:43 +02:00 |
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Maarten L. Hekkelman
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5de872bbb3
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Version bump, update mmcif_pdbx.dic
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2025-06-10 09:17:30 +02:00 |
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Maarten L. Hekkelman
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89a3ea4e24
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update mmcif_pdbx.dic
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2025-04-09 15:11:37 +02:00 |
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Maarten L. Hekkelman
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17840cb8cc
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New dictionary
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2024-07-01 12:15:39 +02:00 |
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Maarten L. Hekkelman
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e59750386f
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- changed compound::is_known_peptide/is_know_base
- Add audit_conform only if file is really valid
- Added reconstruction code for PDBx
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2024-01-24 16:14:08 +01:00 |
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Maarten L. Hekkelman
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c031a3c24e
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Moved data file components.cif to rsrc
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2023-12-05 11:53:39 +01:00 |
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Maarten L. Hekkelman
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64e40e7b31
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Fix writing PDB CISPEP records
Better checking for open files
More verbose parser
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2022-11-07 11:06:06 +01:00 |
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Maarten L. Hekkelman
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a9e9f86c93
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Renaming internal use of mmcif_pdbx dictionary. It was wrong to use the name mmcif_pdbx_v50
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2022-08-16 16:17:30 +02:00 |
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Maarten L. Hekkelman
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ce7434a463
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Make boost::regex optional
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2022-08-14 19:31:31 +02:00 |
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Maarten L. Hekkelman
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f7bef8b0e9
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update dictionary
do not throw from Category::isValid()
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2021-09-07 14:50:06 +02:00 |
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Maarten L. Hekkelman
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5d4c2641f6
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fix cmake file, now creates unit-test
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2021-05-19 15:37:07 +02:00 |
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Maarten L. Hekkelman
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143f17fb2a
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reorganize resources
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2021-02-10 13:55:40 +01:00 |
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Maarten L. Hekkelman
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900d7fa07a
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moved dictionaries
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2021-02-10 13:28:33 +01:00 |
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Maarten L. Hekkelman
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697028b706
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- remove mrc usage entirely
- added example as a simple test case
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2020-11-17 15:48:59 +01:00 |
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Maarten L. Hekkelman
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bd8a4e3639
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new pdbx dictionary, clean up
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2020-10-30 19:45:56 +01:00 |
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Maarten L. Hekkelman
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52ea0bc7fc
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added resource to lib
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2020-08-03 13:18:32 +02:00 |
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Maarten L. Hekkelman
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80bb24f347
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- changed Id to ID in all code
- change ItemReference::as to work with std::optional as well
- changed some DSSP related code
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2020-06-30 13:05:36 +02:00 |
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maarten
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8d9f4f007b
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fix prepper (mmcif naming...)
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@521 a1961a4f-ab94-4bcc-80e8-33b5a54de466
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2020-03-09 08:16:00 +00:00 |
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maarten
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dd7a4f1189
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Terug naar boost::regex
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@408 a1961a4f-ab94-4bcc-80e8-33b5a54de466
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2019-05-13 18:23:47 +00:00 |
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maarten
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0de2ae3673
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tnt remark 3 output in pdb
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@385 a1961a4f-ab94-4bcc-80e8-33b5a54de466
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2019-03-25 18:37:24 +00:00 |
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maarten
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ec4ea697dd
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versie nummering op de schop
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@376 a1961a4f-ab94-4bcc-80e8-33b5a54de466
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2019-02-27 10:30:36 +00:00 |
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maarten
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9a54b6b990
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fix in validator (ucode vs code)
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@361 a1961a4f-ab94-4bcc-80e8-33b5a54de466
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2019-01-24 18:54:08 +00:00 |
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maarten
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f96499cdd8
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nieuwe dict, validate dict
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@325 a1961a4f-ab94-4bcc-80e8-33b5a54de466
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2018-12-19 09:54:23 +00:00 |
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maarten
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bfd74e6f01
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update for edia
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@173 a1961a4f-ab94-4bcc-80e8-33b5a54de466
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2017-11-27 07:56:40 +00:00 |
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maarten
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ca881b82b5
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reshuffled files
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@169 a1961a4f-ab94-4bcc-80e8-33b5a54de466
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2017-11-21 12:42:48 +00:00 |
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