Commits · b7330c074f7000e89217c0efc1320322b10841a7 · open / libcifpp · GitLab

16 Nov, 2021 1 commit
- Fixed Structure::changeResidue to actually change the residue itself as well. · b7330c07
  Maarten L. Hekkelman committed Nov 16, 2021
  
  b7330c07 Browse Files
15 Nov, 2021 3 commits
- strip newlines from names in Compound · e8f41230
  Maarten L. Hekkelman committed Nov 15, 2021
  
  e8f41230 Browse Files
- Fixed bug in structure::changeresidue when removing atoms · 975057c4
  Maarten L. Hekkelman committed Nov 15, 2021
  
  975057c4 Browse Files
- take largest in value for best quaternion · a0e01668
  Maarten L. Hekkelman committed Nov 15, 2021
  
  a0e01668 Browse Files
12 Nov, 2021 5 commits
- cleaner implementation of matrices · 2c774914
  Maarten L. Hekkelman committed Nov 12, 2021
  
  2c774914 Browse Files
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · be19e4a9
  Maarten L. Hekkelman committed Nov 12, 2021
  
  be19e4a9 Browse Files
- using expression templates for matrices · 61ce91a9
  Maarten L. Hekkelman committed Nov 12, 2021
  
  61ce91a9 Browse Files
- clean up code · 18f1d07e
  Maarten L. Hekkelman committed Nov 12, 2021
  
  18f1d07e Browse Files
- correct implementation of alignpoints · b5969761
  Maarten L. Hekkelman committed Nov 12, 2021
  
  b5969761 Browse Files
11 Nov, 2021 3 commits
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 1f6b86d5
  Maarten L. Hekkelman committed Nov 11, 2021
  
  1f6b86d5 Browse Files
- Fix the 3d alignment code · 31499b97
  Maarten L. Hekkelman committed Nov 11, 2021
  
  31499b97 Browse Files
- git and revisions · f83850e3
  Maarten L. Hekkelman committed Nov 11, 2021
  
  f83850e3 Browse Files
20 Oct, 2021 3 commits
- Optimised assigning data · 7f39d401
  Maarten L. Hekkelman committed Oct 20, 2021
  
  7f39d401 Browse Files
- clean up · af412c28
  Maarten L. Hekkelman committed Oct 20, 2021
  
  af412c28 Browse Files
- Fix symmetry lookup · 874cd3ba
  Maarten L. Hekkelman committed Oct 20, 2021
  
  874cd3ba Browse Files
19 Oct, 2021 1 commit
- optimized caching of items in mmcif::Atom · ea28ebdd
  Maarten L. Hekkelman committed Oct 19, 2021
  
  ea28ebdd Browse Files
18 Oct, 2021 5 commits
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 3ba46893
  Maarten L. Hekkelman committed Oct 18, 2021
  
  3ba46893 Browse Files
- Merge branch 'trunk' into develop · 45f33e4b
  Maarten L. Hekkelman committed Oct 18, 2021
  
  45f33e4b Browse Files
- Fix reading mmCIF file where model is defined but model 1 is missing. Version bump. · 021487ed
  Maarten L. Hekkelman committed Oct 18, 2021
  
  021487ed Browse Files
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · cb3443ff
  Maarten L. Hekkelman committed Oct 18, 2021
  
  cb3443ff Browse Files
- order of compound info, load CCD first · 6b2c9dc3
  Maarten L. Hekkelman committed Oct 18, 2021
  
  6b2c9dc3 Browse Files
14 Oct, 2021 1 commit
- Merge branch 'trunk' into develop · 7513cc19
  Maarten L. Hekkelman committed Oct 14, 2021
  
  7513cc19 Browse Files
13 Oct, 2021 11 commits
- fix pkgconfig file · c98b8ae5
```
fix example for new interface
```
  Maarten L. Hekkelman committed Oct 13, 2021
  c98b8ae5 Browse Files
- Merge branch 'trunk' into develop · ab2dd4b7
  Maarten L. Hekkelman committed Oct 13, 2021
  
  ab2dd4b7 Browse Files
- 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
  be773165 Browse Files
- remove unused files · cdfb0d94
  Maarten L. Hekkelman committed Oct 13, 2021
  
  cdfb0d94 Browse Files
- Version bump, changelog updated · 71f7e7c7
  Maarten L. Hekkelman committed Oct 13, 2021
  
  71f7e7c7 Browse Files
- Fix installation rules for CCD data · cff09959
  Maarten L. Hekkelman committed Oct 13, 2021
  
  cff09959 Browse Files
- Fix all tests to work with embedded data, no CCD, part 4 · e1826044
  Maarten L. Hekkelman committed Oct 13, 2021
  
  e1826044 Browse Files
- Fix all tests to work with embedded data, no CCD, part 3 · 45a7defb
  Maarten L. Hekkelman committed Oct 13, 2021
  
  45a7defb Browse Files
- Fix all tests to work with embedded data, no CCD · 906f6ac1
  Maarten L. Hekkelman committed Oct 13, 2021
  
  906f6ac1 Browse Files
- rename update script · 8d96e513
  Maarten L. Hekkelman committed Oct 13, 2021
  
  8d96e513 Browse Files
- Added small ccd subset for testing in absense of full CCD · cdefd063
  Maarten L. Hekkelman committed Oct 13, 2021
  
  cdefd063 Browse Files
12 Oct, 2021 1 commit
- Performance increase by using std::string_view · 8bbcba76
```
Updated Structure::changeResidue
```
  Maarten L. Hekkelman committed Oct 12, 2021
  8bbcba76 Browse Files
06 Oct, 2021 1 commit
- Fixed symmetry operator table generator · c767e89a
  Maarten L. Hekkelman committed Oct 06, 2021
  
  c767e89a Browse Files
05 Oct, 2021 1 commit
- run tests before installation · b78a603d
  Maarten L. Hekkelman committed Oct 05, 2021
  
  b78a603d Browse Files
29 Sep, 2021 4 commits
- last updates in develop · 18088457
  Maarten L. Hekkelman committed Sep 29, 2021
  
  18088457 Browse Files
- imported libname for stdc++fs · 056697d9
  Maarten L. Hekkelman committed Sep 29, 2021
  
  056697d9 Browse Files
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 2681cfad
  Maarten L. Hekkelman committed Sep 29, 2021
  
  2681cfad Browse Files
- fix lib name · 8aaa7925
  Maarten L. Hekkelman committed Sep 29, 2021
  
  8aaa7925 Browse Files