Commits · master · Capsid.crates / lib3dmol

05 Mar, 2020 5 commits
- Fix error in doc in lib.rs · 126a316c
  NOEL Philippe authored Mar 05, 2020
  
  126a316c
- Edit links for badges to refer of the package on crates.io and to the licence in Readme.md · cfa5e128
  NOEL Philippe authored Mar 05, 2020
  
  cfa5e128
- Update to 0.3.2 · f0f1571f
  NOEL Philippe authored Mar 05, 2020
  
  f0f1571f
- Add badges in README.md · af1c5f0e
  NOEL Philippe authored Mar 05, 2020
  
  af1c5f0e
- Fix examples in Readme.md and src/lib.rs · f531a6f1
  NOEL Philippe authored Mar 05, 2020
  
  f531a6f1
24 Feb, 2020 7 commits
- Fix url for remote (git to https) in Cargo.toml · 3357c5ae
  NOEL Philippe authored Feb 24, 2020
  
  3357c5ae
- Fix the name of the readme in Cargo.toml · 5521bd6b
  NOEL Philippe authored Feb 24, 2020
  
  5521bd6b
- Fix remote repository to give access to public · ad29cfbd
  NOEL Philippe authored Feb 24, 2020
  
  ad29cfbd
- Add description and licence tags in Cargo.toml · 4b7a7386
  NOEL Philippe authored Feb 24, 2020
  
  4b7a7386
- Change version number from '0.2.0' to '0.3.0' in Cargo.toml · a93572d4
  NOEL Philippe authored Feb 24, 2020
  
  a93572d4
- Add LICENSE · 34976f46
  NOEL Philippe authored Feb 24, 2020
  
  34976f46
- Update README.md · 86502229
  NOEL Philippe authored Feb 24, 2020
  
  86502229
14 Jan, 2020 2 commits
- Merge branch 'atoms_weights' into 'master' · f4ead3f6
  NOEL Philippe authored Jan 14, 2020
```
Compute center of mass

See merge request pnoel/pdbparser!5
```
  f4ead3f6
- Implement AtomType for Atom structure and fix computing center of mass · d477e7e2
  NOEL Philippe authored Jan 14, 2020
  
  d477e7e2
12 Dec, 2019 1 commit
- Refine documentation for tools · 21669cfe
  NOEL Philippe authored Dec 12, 2019
  
  21669cfe
10 Dec, 2019 2 commits
- Fix documentation in build module · 35c42e4c
  NOEL Philippe authored Dec 10, 2019
  
  35c42e4c
- Move selection_atom in structures module · 960acd78
  NOEL Philippe authored Dec 10, 2019
  
  960acd78
09 Dec, 2019 4 commits
- Clean and add documentation in lib.rs · 310a1428
  NOEL Philippe authored Dec 09, 2019
  
  310a1428
- Change the name of the library from pdbparser to lib3dmol and resolves · 9be01477
  NOEL Philippe authored Dec 09, 2019
```
all imports
```
  9be01477
- Add support to write consistency, temp_factor, element and charge in · 72c6997b
  NOEL Philippe authored Dec 09, 2019
```
output PDB files
```
  72c6997b
- Set occupancy, temp_factor, charge and element to Option in the parsing · 2b1c91d9
  NOEL Philippe authored Dec 09, 2019
  
  2b1c91d9
06 Dec, 2019 11 commits
- Add Option structure for occupancy, temp_factorn element and charge · 876ebb6a
  NOEL Philippe authored Dec 06, 2019
```
parameters in Atom structure
```
  876ebb6a
- Add a new function to create Atom::new_complete -> implement the parsing · 575ebf0f
  NOEL Philippe authored Dec 06, 2019
```
of occupancy, temp_factor, element and charge for atoms
```
  575ebf0f
- Fix atom_number parsing in read_pdb function. Indexes were not good · 38e026b2
  NOEL Philippe authored Dec 06, 2019
  
  38e026b2
- Add pub for write_pdb function · 2e556cf2
  NOEL Philippe authored Dec 06, 2019
  
  2e556cf2
- Remove Sec (Selenocysteine) from the list of supported amino acid · 7a9b3e4d
  NOEL Philippe authored Dec 06, 2019
  
  7a9b3e4d
- Add the build' function for all amino acid · 4649afa3
  NOEL Philippe authored Dec 06, 2019
  
  4649afa3
- Add a function to create residues. Can be used for tests · 34d2ce8e
  NOEL Philippe authored Dec 06, 2019
  
  34d2ce8e
- Create an enum for all residues called ResidueType · 4116b7e5
  NOEL Philippe authored Dec 06, 2019
  
  4116b7e5
- Add a function read_pdb_txt to read pdb lines from string · 8404927b
  NOEL Philippe authored Dec 06, 2019
  
  8404927b
- Add tests for select_atom_around · 15e5ac36
  NOEL Philippe authored Dec 06, 2019
  
  15e5ac36
- Add function select_atom_around to select atoms in a radius around a point · 9f052112
  NOEL Philippe authored Dec 06, 2019
  
  9f052112
05 Dec, 2019 1 commit
- Add new file distances.rs for function about distances and move · 0239a005
  NOEL Philippe authored Dec 05, 2019
```
center_point in it
```
  0239a005
10 Oct, 2019 2 commits
- Merge branch 'add_modules' into 'master' · 11abc264
  NOEL Philippe authored Oct 10, 2019
```
Add modules

See merge request pnoel/pdbparser!4
```
  11abc264
- Correction of import in doc tests · e7b93ef9
  NOEL Philippe authored Oct 10, 2019
  
  e7b93ef9
09 Sep, 2019 1 commit
- Create mod for tests · 036dd812
  NOEL Philippe authored Sep 09, 2019
  
  036dd812
05 Sep, 2019 4 commits
- Fix test doc in structure.rs · 6286d1c8
  philippe authored Sep 06, 2019
  
  6286d1c8
- Fix test doc for chain.rs · 740bc428
  philippe authored Sep 06, 2019
  
  740bc428
- Fix test doc for pdb reader · 85609d0e
  philippe authored Sep 06, 2019
  
  85609d0e
- Fix test doc for atoms · f4a1038c
  philippe authored Sep 06, 2019
  
  f4a1038c