Commits · ecb2cf5f119bc395da230ee6e02005d928da8c53 · open / libcifpp · GitLab

08 Dec, 2021 1 commit
- Fix for compiling with gcc 11.2 · ecb2cf5f
  Maarten L. Hekkelman committed Dec 08, 2021
  
  ecb2cf5f Browse Files
25 Nov, 2021 4 commits
- Fixed rename-compound-test to work when not using resources · 7f27da9b
  Maarten L. Hekkelman committed Nov 25, 2021
  
  7f27da9b Browse Files
- attempt to fix running tests in different directory · 01eb499c
  Maarten L. Hekkelman committed Nov 25, 2021
  
  01eb499c Browse Files
- changelog update · 1ff6f706
  Maarten L. Hekkelman committed Nov 25, 2021
  
  1ff6f706 Browse Files
- strip newlines from compound names read from CCD · ddde996e
  Maarten L. Hekkelman committed Nov 25, 2021
  
  ddde996e Browse Files
24 Nov, 2021 1 commit
- unneeded loading of resource removed from test · a5681439
  Maarten L. Hekkelman committed Nov 24, 2021
  
  a5681439 Browse Files
18 Nov, 2021 2 commits
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 4c28091e
  Maarten L. Hekkelman committed Nov 18, 2021
  
  4c28091e Browse Files
- re-added group to Compound. Seems to be important · d4972542
  Maarten L. Hekkelman committed Nov 18, 2021
  
  d4972542 Browse Files
17 Nov, 2021 1 commit
- fixed writing PDB files (= remove to_upper for all header lines...) · fcb4dc61
  Maarten L. Hekkelman committed Nov 17, 2021
  
  fcb4dc61 Browse Files
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 9 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