Commits · 66f742d6c07572a55dada11159653979139732ed · open / libcifpp · GitLab

14 Dec, 2021 1 commit
- code to facilitate DSSP · 66f742d6
  Maarten L. Hekkelman committed Dec 14, 2021
  
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10 Dec, 2021 5 commits
- Merge branch 'develop' into trunk · 7ba9f688
  Maarten L. Hekkelman committed Dec 10, 2021
  
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- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 883f0307
  Maarten L. Hekkelman committed Dec 10, 2021
  
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- Merge branch 'develop' into trunk · c9719f87
  Maarten L. Hekkelman committed Dec 10, 2021
  
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- formatting of floating points in cif files · 123d25f8
```
better verbose info for differences
```
  Maarten L. Hekkelman committed Dec 10, 2021
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- formatting of floating points in cif files · 56da42db
```
better verbose info for differences
```
  Maarten L. Hekkelman committed Dec 10, 2021
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08 Dec, 2021 2 commits
- formatting · 7f820449
  Maarten L. Hekkelman committed Dec 08, 2021
  
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- Fix for compiling with gcc 11.2 · ecb2cf5f
  Maarten L. Hekkelman committed Dec 08, 2021
  
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25 Nov, 2021 5 commits
- Fixed rename-compound-test to work when not using resources · 7f27da9b
  Maarten L. Hekkelman committed Nov 25, 2021
  
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- attempt to fix running tests in different directory · 01eb499c
  Maarten L. Hekkelman committed Nov 25, 2021
  
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- changelog update · 1ff6f706
  Maarten L. Hekkelman committed Nov 25, 2021
  
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- strip newlines from compound names read from CCD · ddde996e
  Maarten L. Hekkelman committed Nov 25, 2021
  
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- Fixed rename-compound-test to work when not using resources · 1c9212c7
  Maarten L. Hekkelman committed Nov 25, 2021
  
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24 Nov, 2021 1 commit
- unneeded loading of resource removed from test · a5681439
  Maarten L. Hekkelman committed Nov 24, 2021
  
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23 Nov, 2021 1 commit
- attempt to fix running tests in different directory · 2b6f1bd9
  Maarten L. Hekkelman committed Nov 23, 2021
  
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24 Nov, 2021 1 commit
- correct version in cmakefile, fix structure-test to no longer load resource · 2527aa5e
  Maarten L. Hekkelman committed Nov 24, 2021
  
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18 Nov, 2021 2 commits
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 4c28091e
  Maarten L. Hekkelman committed Nov 18, 2021
  
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- re-added group to Compound. Seems to be important · d4972542
  Maarten L. Hekkelman committed Nov 18, 2021
  
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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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03 Nov, 2021 1 commit
- changelog update · 1a4ccd86
  Maarten L. Hekkelman committed Nov 03, 2021
  
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29 Oct, 2021 1 commit
- strip newlines from compound names read from CCD · 5c3c6fec
  Maarten L. Hekkelman committed Oct 29, 2021
  
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21 Oct, 2021 1 commit
- removed a too strict test in loading structures · f97e742d
  Maarten L. Hekkelman committed Oct 21, 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 2 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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