Commits · fcb4dc61b562c1e80dfb4eed0319db4a3983fa95 · open / libcifpp · GitLab

17 Nov, 2021 1 commit
- fixed writing PDB files (= remove to_upper for all header lines...) · fcb4dc61
  Maarten L. Hekkelman committed Nov 17, 2021
  
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16 Nov, 2021 1 commit
- Fixed Structure::changeResidue to actually change the residue itself as well. · b7330c07
  Maarten L. Hekkelman committed Nov 16, 2021
  
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15 Nov, 2021 3 commits
- strip newlines from names in Compound · e8f41230
  Maarten L. Hekkelman committed Nov 15, 2021
  
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- Fixed bug in structure::changeresidue when removing atoms · 975057c4
  Maarten L. Hekkelman committed Nov 15, 2021
  
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- take largest in value for best quaternion · a0e01668
  Maarten L. Hekkelman committed Nov 15, 2021
  
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12 Nov, 2021 5 commits
- cleaner implementation of matrices · 2c774914
  Maarten L. Hekkelman committed Nov 12, 2021
  
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- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · be19e4a9
  Maarten L. Hekkelman committed Nov 12, 2021
  
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- using expression templates for matrices · 61ce91a9
  Maarten L. Hekkelman committed Nov 12, 2021
  
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- clean up code · 18f1d07e
  Maarten L. Hekkelman committed Nov 12, 2021
  
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- correct implementation of alignpoints · b5969761
  Maarten L. Hekkelman committed Nov 12, 2021
  
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11 Nov, 2021 3 commits
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 1f6b86d5
  Maarten L. Hekkelman committed Nov 11, 2021
  
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- Fix the 3d alignment code · 31499b97
  Maarten L. Hekkelman committed Nov 11, 2021
  
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- git and revisions · f83850e3
  Maarten L. Hekkelman committed Nov 11, 2021
  
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20 Oct, 2021 3 commits
- Optimised assigning data · 7f39d401
  Maarten L. Hekkelman committed Oct 20, 2021
  
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- clean up · af412c28
  Maarten L. Hekkelman committed Oct 20, 2021
  
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- Fix symmetry lookup · 874cd3ba
  Maarten L. Hekkelman committed Oct 20, 2021
  
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19 Oct, 2021 1 commit
- optimized caching of items in mmcif::Atom · ea28ebdd
  Maarten L. Hekkelman committed Oct 19, 2021
  
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18 Oct, 2021 5 commits
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 3ba46893
  Maarten L. Hekkelman committed Oct 18, 2021
  
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- Merge branch 'trunk' into develop · 45f33e4b
  Maarten L. Hekkelman committed Oct 18, 2021
  
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- Fix reading mmCIF file where model is defined but model 1 is missing. Version bump. · 021487ed
  Maarten L. Hekkelman committed Oct 18, 2021
  
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- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · cb3443ff
  Maarten L. Hekkelman committed Oct 18, 2021
  
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- order of compound info, load CCD first · 6b2c9dc3
  Maarten L. Hekkelman committed Oct 18, 2021
  
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14 Oct, 2021 1 commit
- Merge branch 'trunk' into develop · 7513cc19
  Maarten L. Hekkelman committed Oct 14, 2021
  
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13 Oct, 2021 11 commits
- fix pkgconfig file · c98b8ae5
```
fix example for new interface
```
  Maarten L. Hekkelman committed Oct 13, 2021
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- Merge branch 'trunk' into develop · ab2dd4b7
  Maarten L. Hekkelman committed Oct 13, 2021
  
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- Rename options to make them all start with CIFPP_ · be773165
```
Add cmake options for CACHE_DIR and DATA_DIR
```
  Maarten L. Hekkelman committed Oct 13, 2021
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- remove unused files · cdfb0d94
  Maarten L. Hekkelman committed Oct 13, 2021
  
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- Version bump, changelog updated · 71f7e7c7
  Maarten L. Hekkelman committed Oct 13, 2021
  
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- Fix installation rules for CCD data · cff09959
  Maarten L. Hekkelman committed Oct 13, 2021
  
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- Fix all tests to work with embedded data, no CCD, part 4 · e1826044
  Maarten L. Hekkelman committed Oct 13, 2021
  
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- Fix all tests to work with embedded data, no CCD, part 3 · 45a7defb
  Maarten L. Hekkelman committed Oct 13, 2021
  
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- Fix all tests to work with embedded data, no CCD · 906f6ac1
  Maarten L. Hekkelman committed Oct 13, 2021
  
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- rename update script · 8d96e513
  Maarten L. Hekkelman committed Oct 13, 2021
  
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- Added small ccd subset for testing in absense of full CCD · cdefd063
  Maarten L. Hekkelman committed Oct 13, 2021
  
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12 Oct, 2021 1 commit
- Performance increase by using std::string_view · 8bbcba76
```
Updated Structure::changeResidue
```
  Maarten L. Hekkelman committed Oct 12, 2021
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06 Oct, 2021 1 commit
- Fixed symmetry operator table generator · c767e89a
  Maarten L. Hekkelman committed Oct 06, 2021
  
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05 Oct, 2021 1 commit
- run tests before installation · b78a603d
  Maarten L. Hekkelman committed Oct 05, 2021
  
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29 Sep, 2021 3 commits
- last updates in develop · 18088457
  Maarten L. Hekkelman committed Sep 29, 2021
  
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- imported libname for stdc++fs · 056697d9
  Maarten L. Hekkelman committed Sep 29, 2021
  
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- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 2681cfad
  Maarten L. Hekkelman committed Sep 29, 2021
  
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