Commits · 5e352cb8e49c2c492392d1f0c3d6193f94d6503a · open / libcifpp · GitLab

20 Dec, 2021 1 commit
- Removed erronous dependency in config.cmake.in · 5e352cb8
  Maarten L. Hekkelman committed Dec 20, 2021
  
  5e352cb8 Browse Files
15 Dec, 2021 1 commit
- make DSSP::iterator bidirectional · 2fad7315
  Maarten L. Hekkelman committed Dec 15, 2021
  
  2fad7315 Browse Files
14 Dec, 2021 3 commits
- update changelog · 520759df
  Maarten L. Hekkelman committed Dec 14, 2021
  
  520759df Browse Files
- Fix in processing CCP4 monomers, proline is a peptide · 577b44ae
  Maarten L. Hekkelman committed Dec 14, 2021
  
  577b44ae Browse Files
- code to facilitate DSSP · 66f742d6
  Maarten L. Hekkelman committed Dec 14, 2021
  
  66f742d6 Browse Files
10 Dec, 2021 5 commits
- Merge branch 'develop' into trunk · 7ba9f688
  Maarten L. Hekkelman committed Dec 10, 2021
  
  7ba9f688 Browse Files
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 883f0307
  Maarten L. Hekkelman committed Dec 10, 2021
  
  883f0307 Browse Files
- Merge branch 'develop' into trunk · c9719f87
  Maarten L. Hekkelman committed Dec 10, 2021
  
  c9719f87 Browse Files
- formatting of floating points in cif files · 123d25f8
```
better verbose info for differences
```
  Maarten L. Hekkelman committed Dec 10, 2021
  123d25f8 Browse Files
- formatting of floating points in cif files · 56da42db
```
better verbose info for differences
```
  Maarten L. Hekkelman committed Dec 10, 2021
  56da42db Browse Files
08 Dec, 2021 2 commits
- formatting · 7f820449
  Maarten L. Hekkelman committed Dec 08, 2021
  
  7f820449 Browse Files
- Fix for compiling with gcc 11.2 · ecb2cf5f
  Maarten L. Hekkelman committed Dec 08, 2021
  
  ecb2cf5f Browse Files
25 Nov, 2021 5 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
- Fixed rename-compound-test to work when not using resources · 1c9212c7
  Maarten L. Hekkelman committed Nov 25, 2021
  
  1c9212c7 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
23 Nov, 2021 1 commit
- attempt to fix running tests in different directory · 2b6f1bd9
  Maarten L. Hekkelman committed Nov 23, 2021
  
  2b6f1bd9 Browse Files
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
  
  2527aa5e 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
03 Nov, 2021 1 commit
- changelog update · 1a4ccd86
  Maarten L. Hekkelman committed Nov 03, 2021
  
  1a4ccd86 Browse Files
29 Oct, 2021 1 commit
- strip newlines from compound names read from CCD · 5c3c6fec
  Maarten L. Hekkelman committed Oct 29, 2021
  
  5c3c6fec Browse Files
21 Oct, 2021 1 commit
- removed a too strict test in loading structures · f97e742d
  Maarten L. Hekkelman committed Oct 21, 2021
  
  f97e742d Browse Files
20 Oct, 2021 2 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