Commits · e67b292b4355401b0e0a189eab60e2af76548cfe · iPPIDB / ippidb-web

Aug 23, 2018
- add a helper class to compute Tanimoto using OpenBabel · e67b292b
  Hervé MENAGER authored 6 years ago
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Former-commit-id: c3ac77885fc383aa051ad8e6bc66da3633669455
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  e67b292b
Aug 22, 2018
- add compound structure to the biplot tooltips · 362a0fca
  Hervé MENAGER authored 6 years ago
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fix #78


Former-commit-id: 607f0c6cf38d5ea97c3a0572ca55c9e9fe9a135b
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  362a0fca
- add compound smiles to the biplots in the DB · e9c16014
  Hervé MENAGER authored 6 years ago
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this is to be used to display compound structures in biplots
for #78


Former-commit-id: fa228c05ef260891812bb6af526bf54a60f8e9a3
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  e9c16014
- correct compound display in compounds list table view · b4819206
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 427d55ef0fd4ad1cda068fa7dc6c0f7ad60544d4
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  b4819206
- remove references to Kekule, not used anymore · d13fd038
  Hervé MENAGER authored 6 years ago
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Former-commit-id: ff204f9c47fac7f8fd8516fb9c5f235a8db3be96
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  d13fd038
Aug 21, 2018
- add the number of assays in the compounds list · 285fed6c
  Hervé MENAGER authored 6 years ago
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fix #81


Former-commit-id: a4ed0e06464e49222a4cf7f2ac65365343ca6563
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  285fed6c
- Merge branch 'master' of https://gitlab.pasteur.fr/hub/iPPIDB · e8b4ee7c
  Hervé MENAGER authored 6 years ago
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Former-commit-id: e63a92d00f2e8592a34dc84ccf6433e7b4d3c319
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  e8b4ee7c
- fix compound bibliography reference for IDs 1651, 1652, 1653, 1654 · 643ae133
  Hervé MENAGER authored 6 years ago
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this is to fix #82
the bug comes from a badly formatted compound name in the source DB,
where the separator is a dot instead of a dash.


Former-commit-id: 0969974b841fce0204de4678b31a93cda141af52
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  643ae133
- fix typo in MarvinJS license file creation · 7337cdf7
  Hervé MENAGER authored 6 years ago
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Former-commit-id: f8cefdeaf8c2342aa22b46abc85a3a18e5ff2c92
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  7337cdf7
- fix marvinjs license file creation · 9454ad0c
  Hervé MENAGER authored 6 years ago
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Former-commit-id: a3520d2147de528289f87c2e3c67fbeaa6c5a69e
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  9454ad0c
- add Marvin JS license during deployment · 2b339549
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 909569656b7f8d9e310833988c0251f7252cef1e
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  2b339549
- ignore MarvinJS license file in GIT · bf51b0ef
  Hervé MENAGER authored 6 years ago
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Former-commit-id: c867c7d0dabe3b375e1609c34f5a6f0e531777af
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  bf51b0ef
- add marvinjs library · 577f9114
  Hervé MENAGER authored 6 years ago
```
(without the license)


Former-commit-id: 3578407b58a1b275f31b6190f565088a49f51b04
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  577f9114
Aug 20, 2018

install openbabel development headers · a84eaba9
Hervé MENAGER authored 6 years ago
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Former-commit-id: ff769f7f076f8c0c53e86a490a4bc36127ed0d8a
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a84eaba9
install swig for openbabel bindings · 7920ec81
Hervé MENAGER authored 6 years ago
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Former-commit-id: 008c14734aa7ce58ab2790928be4c5ba27f98dbd
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7920ec81
also install openbabel for tests · 1c9bcb6c
Hervé MENAGER authored 6 years ago
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Former-commit-id: 2fe506ced0717a6c7a366bd2f790a68e209163df
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1c9bcb6c
install openbabel and python bindings · 620d87e3
Hervé MENAGER authored 6 years ago
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Former-commit-id: f4a9ce0206343f8a31b309cee279792695f39212
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620d87e3

Chemical similarity part 1 (WIP) · 0c159fe3

Hervé MENAGER authored 6 years ago

Add code to embed MarvinJS editor and convert mol to smiles
TODO: add ansible code to install MarvinJS code and license
TODO: add ansible code to install openbabel and pybel

Former-commit-id: 04e76c75250ddff1fa45ddf4f4f9277995ae75a4

0c159fe3

refactor smilesDrawer component · a9a774ef

Hervé MENAGER authored 6 years ago

- id and smiles are not necessarily coming from a Compound obj.
- add a "theme" option
- increase line thickness a bit


Former-commit-id: 3b59733be379a7c3e8560643e0a3c2107738eb3c

a9a774ef

Aug 14, 2018

Update onloadTest JS function to set the appropriate value for the Number of... · c8ff3e37

Rachel TORCHET authored 6 years ago

Update onloadTest JS function to set the appropriate value for the Number of copies of the protein in the complex according to the architecture


Former-commit-id: d5001cd4f940bde532582bc6ea2105d0487925fe

c8ff3e37

Add JS function to duplicate form in formset according specific conditions · ab7790fe
Rachel TORCHET authored 6 years ago
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Former-commit-id: 504a958214d48a9a6efc03cb5dbb934d0b85e3ee
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ab7790fe

Aug 07, 2018
- Add compound in CompoundForm is now available! Next step add delete button · 362653fc
  Rachel TORCHET authored 6 years ago
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Former-commit-id: d7fd9a00957dd1470f4068fe126b1c7b9250f136
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  362653fc
Aug 03, 2018
- Merge branch 'master' of https://gitlab.pasteur.fr/hub/iPPIDB · 9c94408a
  Rachel TORCHET authored 6 years ago
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Former-commit-id: d6624ac1ab2382963c075510177cd2f522053862
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  9c94408a
- Can add new form into Compound step, but label ids don't update yet... · ce95bb63
  Rachel TORCHET authored 6 years ago
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Former-commit-id: 6efa2e96589740a6617e31e14b369f82625cd39f
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  ce95bb63
Aug 02, 2018
- tweak iPPI-DB projects compounds table · a48e9f02
  Hervé MENAGER authored 6 years ago
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* th -> td
* set a fixed width for the compound structure


Former-commit-id: e2b70e215ab4a361001bed55d0e13f4e022fc18b
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  a48e9f02
- reorder and tweak display for table columns in compounds list · bdebeb0d
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 6eca475e734cc0cfcbb11d08094460412f304bc1
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  bdebeb0d
- add compound structure in columns of compound list table · 9f384955
  Hervé MENAGER authored 6 years ago
```
Former-commit-id: a3e88d56f88150b9b363ad9762b235d6a71a9313
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  9f384955
- compound 2D structure dimensions can be changed · 52da6102
  Hervé MENAGER authored 6 years ago
```
Former-commit-id: f87ee35f2f755bea1f82d68d9bf9c145c8a51a33
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  52da6102
- Adjust column headers in compounds list table · 7d8d29e8
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 0752ee85e7a4da8e1c8b9e03aad3fe4b0050577e
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  7d8d29e8
- Correct table headers and style in compounds list · 7738fc0d
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 2df7b91d043a36f987f1cf4670cc7989be3de635
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  7738fc0d
- add strips to table for compounds list · a79a6adc
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 967ea765ca9ce2cc05193028bb0f15fe48a36b55
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  a79a6adc
- add more information for thumbnails on mouse over for compounds list · dc964bf4
  Hervé MENAGER authored 6 years ago
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Former-commit-id: e15f2b74c2474ba2f7e43583324987d8c379a386
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  dc964bf4
- remove margin from the iPPI-DB common name in the thumbnail · d64856a8
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 5d997bfcc69375f281f6e81edd8ff0a39d0930d8
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  d64856a8
Aug 01, 2018
- Merge branch 'master' of https://gitlab.pasteur.fr/hub/iPPIDB · 576c59d0
  Rachel TORCHET authored 6 years ago
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Former-commit-id: 50305d3adcc44cac5295d6427d13fc53def89bdf
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  576c59d0
- Restore CompoundForm aspect · c89e4745
  Rachel TORCHET authored 6 years ago
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Former-commit-id: 32bb7504bcc9223f7f1a590a8149a3e815cc9cf8
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  c89e4745
- fix "number of pubs" filter in compounds list · ff7a81ca
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 596f02822be6b1033db352043a630570357bc50c
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  ff7a81ca
- correct redirections between compound url for BDCHEM and iPPI-DB · 78e32e6f
  Hervé MENAGER authored 6 years ago
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Former-commit-id: 5dc45f42c5c744d55bbedbf98b69b820df3958f0
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  78e32e6f
- import RedirectView in urls · 094a47e1
  Hervé MENAGER authored 6 years ago
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Former-commit-id: b265c90d598579983e8e1a386983fb232263e9d5
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  094a47e1
- Merge branch 'master' of https://gitlab.pasteur.fr/hub/iPPIDB · 55235cd3
  Hervé MENAGER authored 6 years ago
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Former-commit-id: a87f28ebc18af9c67eb106dcb92766ac4c4c68bc
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  55235cd3
Jul 31, 2018
- use smilesDrawer to draw compounds · a412d619
  Hervé MENAGER authored 6 years ago
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Former-commit-id: bc1aea02c5aa48d2967c78ded8b19867d51c4db4
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  a412d619