Commits · 37f7e6d8e37c4f3405d100dbe5c5908c8e65c627 · jdurrant / binana

29 May, 2020 2 commits
- Can upload the pdb files · 37f7e6d8
  _Jade Young authored May 29, 2020
  
  37f7e6d8
- Can upload the pdb files · 8aea6be2
  _Jade Young authored May 29, 2020
  
  8aea6be2
22 May, 2020 1 commit
- Added PDBQT to PDB converter. · 67f8e72a
  Jacob Durrant authored May 22, 2020
  
  67f8e72a
10 May, 2020 1 commit
- Updated one of the copies of thte index.html file. · 664588cb
  Jacob Durrant authored May 09, 2020
  
  664588cb
08 May, 2020 1 commit
- Highlight atoms from json file output. · ada5aac8
  _Jade Young authored May 08, 2020
  
  ada5aac8
29 Apr, 2020 2 commits
- Updated javascript version with hbond fix. · fab167a3
  Jacob Durrant authored Apr 29, 2020
  
  fab167a3
- Hydrogen bond receptor/ligand in json file. · 52551a67
  Jacob Durrant authored Apr 29, 2020
  
  52551a67
11 Apr, 2020 1 commit
- 3dmoljs example · bc41d29b
  Jacob Durrant authored Apr 11, 2020
  
  bc41d29b
31 Mar, 2020 1 commit
- Updates to make binana work in the browser. · d41357dc
  Jacob Durrant authored Mar 31, 2020
  
  d41357dc
27 Mar, 2020 1 commit
- Transcrypt "transpiled" JavaScript · 7a524266
  _Jade Young authored Mar 27, 2020
  
  7a524266
19 Mar, 2020 1 commit
- JDD example. · 319459fb
  Jacob Durrant authored Mar 18, 2020
  
  319459fb
29 Feb, 2020 9 commits
- __init__.py · c55aea0b
  _Jade Young authored Feb 29, 2020
  
  c55aea0b
- Class Point imports math · e7db4be1
  _Jade Young authored Feb 29, 2020
  
  e7db4be1
- PDB class import math, Atom, Point, and MathFunctions. Also contains classes... · 958d45d9
  _Jade Young authored Feb 29, 2020
```
PDB class import math, Atom, Point, and MathFunctions. Also contains classes AromaticRing and Charged
```
  958d45d9
- MathFunctions class imports math and Point · 9b5fa572
  _Jade Young authored Feb 29, 2020
  
  9b5fa572
- Command Line Parameters class · 8b4443ab
  _Jade Young authored Feb 29, 2020
  
  8b4443ab
- Atom class imports Point · 4b3b475e
  _Jade Young authored Feb 29, 2020
  
  4b3b475e
- Binana class and introduction · 49730290
  _Jade Young authored Feb 29, 2020
  
  49730290
- separated classes into modules to form binana package · f0cc1b8f
  _Jade Young authored Feb 29, 2020
  
  f0cc1b8f
- updated json_file() and added a helper function to decreases repetition · 99c0f723
  _Jade Young authored Feb 29, 2020
  
  99c0f723
12 Feb, 2020 2 commits
- Merge branch 'master' into 'jade' · 982f1c97
  jdurrant authored Feb 12, 2020
```
Master

See merge request !5
```
  982f1c97
- Merge branch 'jade' into 'master' · 849ccc51
  jdurrant authored Feb 12, 2020
```
Jade

See merge request !4
```
  849ccc51
01 Feb, 2020 7 commits
- Removed cruft from CONTRIBUTING.md · 98c14682
  Jacob Durrant authored Feb 01, 2020
  
  98c14682
- Minor cosmetic fixes. · bfd081c1
  Jacob Durrant authored Feb 01, 2020
  
  bfd081c1
- Updates to documentation, examples, etc. · 0689f3be
  Jacob Durrant authored Feb 01, 2020
  
  0689f3be
- Removed branch-specfic todo list. · ba4be90b
  Jacob Durrant authored Feb 01, 2020
  
  ba4be90b
- Updated docs. · 224d2824
  Jacob Durrant authored Feb 01, 2020
  
  224d2824
- Added json file output using the example ligand and receptor. · 40aeb7e2
  _Jade Young authored Feb 01, 2020
  
  40aeb7e2
- Updated json_file() formatting and content for all interactions · 0ae2af52
  _Jade Young authored Feb 01, 2020
  
  0ae2af52
25 Jan, 2020 1 commit
- Updated json_file() formatting and content · ab8c67dd
  _Jade Young authored Jan 25, 2020
  
  ab8c67dd
22 Jan, 2020 1 commit
- Merge branch 'master' into 'jade' · d543f3e3
  jdurrant authored Jan 22, 2020
```
Master

See merge request !3
```
  d543f3e3
16 Jan, 2020 2 commits
- Added example output json file. · ca877e0f
  Jacob Durrant authored Jan 16, 2020
  
  ca877e0f
- Merge branch 'jade' into HEAD · 91a02eec
  Jacob Durrant authored Jan 16, 2020
  
  91a02eec
07 Jan, 2020 1 commit
- Updated documentation, code formatting. · 4a53b805
  Jacob Durrant authored Jan 07, 2020
  
  4a53b805
20 Nov, 2019 2 commits
- Update binana.py · 4e603d81
  _Jade Young authored Nov 20, 2019
  
  4e603d81
- Added json_file() function that returns json formatted output as dictionary · 666afe8c
  _Jade Young authored Nov 20, 2019
  
  666afe8c
12 Nov, 2019 1 commit
- Fixed class/function names per PEP8 and added comments · d97503c5
  _Jade Young authored Nov 12, 2019
  
  d97503c5
07 Sep, 2019 1 commit
- Update TODO.md · e165a17b
  jdurrant authored Sep 07, 2019
  
  e165a17b
06 Sep, 2019 2 commits
- Update TODO.md · 6abd6c69
  jdurrant authored Sep 06, 2019
  
  6abd6c69
- Merge branch 'future_compatible' into 'master' · 7e2c48d5
  jdurrant authored Sep 06, 2019
```
future compativle

See merge request !1
```
  7e2c48d5