Commits · 1.0.5 · jdurrant / scoria

26 Mar, 2020 1 commit
- Minor bug fix. Version to 1.0.5. · 5915a6ce
  Jacob Durrant authored Mar 25, 2020
  
  5915a6ce
28 Feb, 2020 2 commits
- Updated to version 1.0.4. · e26c8705
  Jacob Durrant authored Feb 28, 2020
  
  e26c8705
- Fixed Python3 bug in assign_elements_from_atom_names() function. · 217e6cab
  Jacob Durrant authored Feb 27, 2020
  
  217e6cab
03 Jul, 2018 1 commit
- Update README.md · 31879661
  jdurrant authored Jul 03, 2018
  
  31879661
18 Aug, 2017 3 commits
- Merge branch 'fix_demo' into 'master' · b8ab4bf8
  Patrick Ropp authored Aug 18, 2017
```
Updated demo.

See merge request !20
```
  b8ab4bf8
- Fixed demo scoria_mda compatibility. · f2e5015a
  jdurrant authored Aug 18, 2017
  
  f2e5015a
- Updated demo. · ae7e630d
  jdurrant authored Aug 18, 2017
  
  ae7e630d
16 Aug, 2017 3 commits
- Added changelog · 7a9eaaaa
  pjropp authored Aug 16, 2017
  
  7a9eaaaa
- Merge branch '48-error-possibly-caused-by-empty-ligand-file' into 'master' · 61680c7c
  Patrick Ropp authored Aug 16, 2017
```
Prevented crashing when loading empty pdbqt files

Closes #48

See merge request !19
```
  61680c7c
- Merge branch '47-get_distance_to_another_molecule-issue' into 'master' · 47b69887
  Patrick Ropp authored Aug 16, 2017
```
Resolve "get_distance_to_another_molecule issue"

Closes #47

See merge request !17
```
  47b69887
15 Aug, 2017 1 commit
- Update README.md to point to branches · 12906ffa
  jdurrant authored Aug 15, 2017
  
  12906ffa
10 Aug, 2017 1 commit
- Cleaning up main branch · c279f85d
  pjropp authored Aug 10, 2017
  
  c279f85d
09 Aug, 2017 1 commit
- Reorganized filestructure · fe69d85c
  pjropp authored Aug 09, 2017
  
  fe69d85c
08 Aug, 2017 2 commits
- Removed # No MDAnalysis in Apache 2.0 version! # comments · 6372a75d
  jdurrant authored Aug 07, 2017
  
  6372a75d
- Removed mda directory. Moved compile stuff to tmp directory. · 7a61f684
  jdurrant authored Aug 07, 2017
  
  7a61f684
02 Aug, 2017 6 commits
- Updated README.md · 79e60b91
  jdurrant authored Aug 02, 2017
  
  79e60b91
- Updated README.md · 141e25f9
  jdurrant authored Aug 02, 2017
  
  141e25f9
- Updated README.md · 5f9f6caa
  jdurrant authored Aug 02, 2017
  
  5f9f6caa
- Adding version 1.0.0.mda · 0e50f032
  jdurrant authored Aug 02, 2017
  
  0e50f032
- Updated LICENSE.txt to Apache 2.0. · 5f8a5a57
  jdurrant authored Aug 02, 2017
  
  5f8a5a57
- Updating license and directory structure. · bfe89e34
  jdurrant authored Aug 02, 2017
  
  bfe89e34
22 Jun, 2017 1 commit
- Merge branch 'errors_fixed' into 'master' · bb585e58
  Patrick Ropp authored Jun 22, 2017
```
Fixed error in FileIO.

See merge request !18
```
  bb585e58
17 Jun, 2017 1 commit
- Fixed error in FileIO. · 4bdf0438
  jdurrant authored Jun 17, 2017
  
  4bdf0438
04 May, 2017 1 commit
- Prevented crashing when loading empty pdbqt files · 7b109ddb
  pjropp authored May 04, 2017
  
  7b109ddb
03 May, 2017 2 commits
- Updated `get_distance...` and `steric_clash...` · d6f10bd9
  pjropp authored May 03, 2017
  
  d6f10bd9
- Updating `get_distance_to_another_molecule` · 9d47bce4
  pjropp authored May 03, 2017
  
  9d47bce4
04 Apr, 2017 2 commits
- Update FootPrint.py. Changed name. · 367b4969
  jdurrant authored Apr 04, 2017
  
  367b4969
- Updates to demo · eb02c238
  jdurrant authored Apr 03, 2017
  
  eb02c238
02 Apr, 2017 1 commit
- Updates to readme · 7f0ee824
  jdurrant authored Apr 01, 2017
  
  7f0ee824
01 Apr, 2017 1 commit
- Renamed scoria_demo directory to simply demo · de062b07
  jdurrant authored Apr 01, 2017
  
  de062b07
31 Mar, 2017 4 commits
- Merge branch 'pip-prep' into 'master' · 04791bdb
  jdurrant authored Mar 31, 2017
```
Pip prep

See merge request !16
```
  04791bdb
- updating the README.md · 33096c30
  pjropp authored Mar 31, 2017
  
  33096c30
- Stripping down required installations · c66f4ceb
  pjropp authored Mar 31, 2017
  
  c66f4ceb
- Adding Copyright notices · c90824b9
  pjropp authored Mar 31, 2017
  
  c90824b9
26 Mar, 2017 1 commit
- Update README.md · 1d9136ac
  jdurrant authored Mar 26, 2017
  
  1d9136ac
23 Mar, 2017 2 commits
- Initial pip prep · 16346d5b
  pjropp authored Mar 23, 2017
  
  16346d5b
- Rebuilt documentation · 00e03dc3
  pjropp authored Mar 23, 2017
  
  00e03dc3
22 Mar, 2017 3 commits
- Revert "Added MIT headers to all py files." · 2ef2119f
  pjropp authored Mar 22, 2017
```
This reverts commit 078195ea.
```
  2ef2119f
- Merge branch '43-pdbqt_import' into 'master' · eed0ba62
  jdurrant authored Mar 22, 2017
```
Resolve "having issues with pdbqt files"

Closes #43

See merge request !14
```
  eed0ba62
- Added MIT headers to all py files. · 078195ea
  jdurrant authored Mar 22, 2017
  
  078195ea