Commits · 85fd9296b250a82e485bb590c20a67f593ece1bf · open / libcifpp · GitLab

19 Apr, 2022 3 commits
- Add test for loading · 85fd9296
  Maarten L. Hekkelman committed Apr 19, 2022
  
  85fd9296 Browse Files
- More interface changes in mmcif::Structure · 1cda1486
  Maarten L. Hekkelman committed Apr 19, 2022
  
  1cda1486 Browse Files
- Fix regression in bondmap calculation · 2d2b26f7
  Maarten L. Hekkelman committed Apr 19, 2022
  
  2d2b26f7 Browse Files
13 Apr, 2022 3 commits
- oops, wrong field name · 93b33af4
  Maarten L. Hekkelman committed Apr 13, 2022
  
  93b33af4 Browse Files
- getPolymerByAsymID · eb80490b
  Maarten L. Hekkelman committed Apr 13, 2022
  
  eb80490b Browse Files
- reduce complexity · ba2b06f5
  Maarten L. Hekkelman committed Apr 13, 2022
  
  ba2b06f5 Browse Files
12 Apr, 2022 2 commits
- - better link validation · fecc762d
```
- better output (quote reserved strings)
```
  Maarten L. Hekkelman committed Apr 12, 2022
  fecc762d Browse Files
- loading unknown atoms · 1e406253
  Maarten L. Hekkelman committed Apr 12, 2022
  
  1e406253 Browse Files
11 Apr, 2022 1 commit
- getResidue, again · 6e3b85f4
  Maarten L. Hekkelman committed Apr 11, 2022
  
  6e3b85f4 Browse Files
06 Apr, 2022 1 commit
- change getResidue · 58f1b626
  Maarten L. Hekkelman committed Apr 06, 2022
  
  58f1b626 Browse Files
30 Mar, 2022 1 commit
- fixed Atom::charge to pick more sensible default · c104a08e
  Maarten L. Hekkelman committed Mar 30, 2022
  
  c104a08e Browse Files
29 Mar, 2022 1 commit
- accept more invalid characters, sigh · dd0f6ca1
  Maarten L. Hekkelman committed Mar 29, 2022
  
  dd0f6ca1 Browse Files
28 Mar, 2022 1 commit
- label and auth seq id, some improvements · f02ea91b
  Maarten L. Hekkelman committed Mar 28, 2022
  
  f02ea91b Browse Files
21 Mar, 2022 1 commit
- access to atoms · 6768a501
  Maarten L. Hekkelman committed Mar 21, 2022
  
  6768a501 Browse Files
14 Mar, 2022 2 commits
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · 879e15c7
  Maarten L. Hekkelman committed Mar 14, 2022
  
  879e15c7 Browse Files
- construct quaternion from angle/axis · 89285b4a
  Maarten L. Hekkelman committed Mar 14, 2022
  
  89285b4a Browse Files
09 Mar, 2022 1 commit
- ion radii · c584714f
  Maarten L. Hekkelman committed Mar 09, 2022
  
  c584714f Browse Files
02 Mar, 2022 1 commit
- refactored mmcif::File · f5016403
  Maarten L. Hekkelman committed Mar 02, 2022
  
  f5016403 Browse Files
23 Feb, 2022 1 commit
- start remove residue · c8f66ae6
  Maarten L. Hekkelman committed Feb 23, 2022
  
  c8f66ae6 Browse Files
15 Feb, 2022 1 commit
- Locate mmcif dictionary in CCP4 space · 858c967e
  Maarten L. Hekkelman committed Feb 15, 2022
  
  858c967e Browse Files
09 Feb, 2022 2 commits
- Add missing include for gcc 8.2 · f9ca5de5
  Maarten L. Hekkelman committed Feb 09, 2022
  
  f9ca5de5 Browse Files
- Slightly better handling of hetero residues · 252c3476
  Maarten L. Hekkelman committed Feb 09, 2022
  
  252c3476 Browse Files
08 Feb, 2022 1 commit
- Fix parsing mmCIF files with an unquoted string ?? · 19210df6
  Maarten L. Hekkelman committed Feb 08, 2022
  
  19210df6 Browse Files
03 Feb, 2022 1 commit
- Remove redundant FindFilesystem include · 15c57307
  Maarten L. Hekkelman committed Feb 03, 2022
  
  15c57307 Browse Files
02 Feb, 2022 3 commits
- update changelog · 3764adb7
  Maarten L. Hekkelman committed Feb 02, 2022
  
  3764adb7 Browse Files
- Merge branch 'develop' into trunk · 9160adb1
  Maarten L. Hekkelman committed Feb 02, 2022
  
  9160adb1 Browse Files
- Do not crash on uninitialized Atoms · 3ebf4338
  Maarten L. Hekkelman committed Feb 02, 2022
  
  3ebf4338 Browse Files
25 Jan, 2022 4 commits
- Fix building in Windows · 2eb4b7b3
  Maarten L. Hekkelman committed Jan 25, 2022
  
  2eb4b7b3 Browse Files
- fix makefile · c241e49b
  Maarten L. Hekkelman committed Jan 25, 2022
  
  c241e49b Browse Files
- Update dependencies, version string · 238c8811
  Maarten L. Hekkelman committed Jan 25, 2022
  
  238c8811 Browse Files
- Create non poly from described atoms · 49dc7335
  Maarten L. Hekkelman committed Jan 25, 2022
  
  49dc7335 Browse Files
19 Jan, 2022 2 commits
- Fix declaration for mmcif::Nudge · 755bd78f
  Maarten L. Hekkelman committed Jan 19, 2022
  
  755bd78f Browse Files
- Fix atomic test (apparently, libatomic is only needed for std::atomic<long long>) · 77f80cd5
  Maarten L. Hekkelman committed Jan 19, 2022
  
  77f80cd5 Browse Files
18 Jan, 2022 5 commits
- cleaning up code · 3df60006
  Maarten L. Hekkelman committed Jan 18, 2022
  
  3df60006 Browse Files
- comment adjusted · 5efee2b4
  Maarten L. Hekkelman committed Jan 18, 2022
  
  5efee2b4 Browse Files
- Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop · f3c2e591
  Maarten L. Hekkelman committed Jan 18, 2022
  
  f3c2e591 Browse Files
- Change logic for testing std::filesystem and libatomic · 24ab660e
  Maarten L. Hekkelman committed Jan 18, 2022
  
  24ab660e Browse Files
- Revert "Check atomic" · 6c0a4180
```
This reverts commit 07a18099.
```
  Maarten L. Hekkelman committed Jan 18, 2022
  6c0a4180 Browse Files
17 Jan, 2022 1 commit
- Check atomic · 07a18099
  Maarten L. Hekkelman committed Jan 17, 2022
  
  07a18099 Browse Files
12 Jan, 2022 1 commit
- Merge branch 'develop' into trunk · 4732004b
  Maarten L. Hekkelman committed Jan 12, 2022
  
  4732004b Browse Files