Commits · e59750386f4b00f05847a1446c09cb6c1012b7e5 · open / libcifpp · GitLab

24 Jan, 2024 1 commit
- - changed compound::is_known_peptide/is_know_base · e5975038
```
- Add audit_conform only if file is really valid
- Added reconstruction code for PDBx
```
  Maarten L. Hekkelman committed Jan 24, 2024
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23 Jan, 2024 6 commits
- atom_site_anisotrop check · 4e19d548
  Maarten L. Hekkelman committed Jan 23, 2024
  
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- version bump · db603e54
  Maarten L. Hekkelman committed Jan 23, 2024
  
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- Fix validate pdbx · 5320cb12
  Maarten L. Hekkelman committed Jan 23, 2024
  
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- Merge remote-tracking branch 'github/develop-cif2fasta' into develop · 30a2ebdb
  Maarten L. Hekkelman committed Jan 23, 2024
  
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- replace tag with item or item_name · a5d43998
  Maarten L. Hekkelman committed Jan 23, 2024
  
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- renaming field and column to item · 2792caec
  Maarten L. Hekkelman committed Jan 23, 2024
  
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22 Jan, 2024 10 commits
- Fixed serious bug in emplace of both datablock and file. · fb2b1e98
  Maarten L. Hekkelman committed Jan 22, 2024
  
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- macOS... · 13ab1caf
  Maarten L. Hekkelman committed Jan 22, 2024
  
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- Added rename_column · 5d4534fa
```
Added item_alias
Rename columns in reconstruct
```
  Maarten L. Hekkelman committed Jan 22, 2024
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- Added remove column · f4506438
  Maarten L. Hekkelman committed Jan 22, 2024
  
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- attempt 2 to build on macOS · fc14a655
  Maarten L. Hekkelman committed Jan 22, 2024
  
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- Attempt to get code compiling on macOS · bbd1e27c
  Maarten L. Hekkelman committed Jan 22, 2024
  
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- Version bump · 369a83b7
  Maarten L. Hekkelman committed Jan 22, 2024
  
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- Merge remote-tracking branch 'github/develop-cif2fasta' into develop · afc541b9
  Maarten L. Hekkelman committed Jan 22, 2024
  
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- formatting data in reconstruction · 7e4d2ffb
  Maarten L. Hekkelman committed Jan 22, 2024
  
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- - checking and optionally dropping ndb_poly_seq_scheme · e09913a9
```
- fix in iterator_proxy
```
  Maarten L. Hekkelman committed Jan 22, 2024
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17 Jan, 2024 1 commit
- - renamed exists to contains · b4d1c4cc
```
- fix compare for ints where item is empty
```
  Maarten L. Hekkelman committed Jan 17, 2024
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09 Jan, 2024 2 commits
- Merge branch 'develop' into trunk · 22537c0e
  Maarten L. Hekkelman committed Jan 09, 2024
  
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- Do not validate on copy category · 39c0db8d
  Maarten L. Hekkelman committed Jan 09, 2024
  
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04 Jan, 2024 2 commits
- Increase version to reflect changes · 9db12761
  Maarten L. Hekkelman committed Jan 04, 2024
  
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- Fix design flaw in category_index (when moving categories) · 0f8a7c48
  Maarten L. Hekkelman committed Jan 04, 2024
  
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03 Jan, 2024 6 commits
- for compatibility with gcc 9.4 · 47e59a55
  Maarten L. Hekkelman committed Jan 03, 2024
  
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- fixes in pdbx validation, compound one letter code · b3496f4e
  Maarten L. Hekkelman committed Jan 03, 2024
  
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- In reconstruct, use embedded compound info · e866228a
  Maarten L. Hekkelman committed Jan 03, 2024
  
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- revert change to string_view, not working on macOS · 4aeaa525
  Maarten L. Hekkelman committed Jan 03, 2024
  
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- update changelog · b36988e6
  Maarten L. Hekkelman committed Jan 03, 2024
  
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- small optimisation · 393aefce
  Maarten L. Hekkelman committed Jan 03, 2024
  
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02 Jan, 2024 6 commits
- sequence recovery and validation · 227ff1b8
  Maarten L. Hekkelman committed Jan 02, 2024
  
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- PDBx validation and reconstruction code, take 1 · 82086a93
  Maarten L. Hekkelman committed Jan 02, 2024
  
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- Merge · abd97cc1
  Maarten L. Hekkelman committed Jan 02, 2024
  
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- Merge branch 'cif2fasta-develop' into develop-cif2fasta · 3315fae8
  Maarten L. Hekkelman committed Jan 02, 2024
  
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- formatting · d8c3c3f7
  Maarten L. Hekkelman committed Jan 02, 2024
  
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- export CIFPP_SHARE_DIR to parent scope in case we're included using sub_directory · 23459879
  Maarten L. Hekkelman committed Jan 02, 2024
  
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27 Dec, 2023 2 commits
- Merge remote-tracking branch 'origin/develop' into develop-cif2fasta · f1ca916d
  Maarten L. Hekkelman committed Dec 27, 2023
  
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- Fix url in missing compound message · 6aae012a
  Maarten L. Hekkelman committed Dec 27, 2023
  
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20 Dec, 2023 4 commits
- Load inline compound info as restraints, not CCD info · 51698342
  Maarten L. Hekkelman committed Dec 20, 2023
  
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- Update changelog · 05d78c92
  Maarten L. Hekkelman committed Dec 20, 2023
  
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- delete garbage · dc571444
  Maarten L. Hekkelman committed Dec 20, 2023
  
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- Change order of categories in input and in output · dd260ca4
```
- input matches order in file from now on
- output is ordered by parent/child relations
```
  Maarten L. Hekkelman committed Dec 20, 2023
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