Skip to content
Permalink

Comparing changes

Choose two branches to see what’s changed or to start a new pull request. If you need to, you can also or learn more about diff comparisons.

Open a pull request

Create a new pull request by comparing changes across two branches. If you need to, you can also . Learn more about diff comparisons here.
base repository: uibcdf/molsysmt
Failed to load repositories. Confirm that selected base ref is valid, then try again.
Loading
base: 0.6.5
Choose a base ref
...
head repository: uibcdf/molsysmt
Failed to load repositories. Confirm that selected head ref is valid, then try again.
Loading
compare: 0.6.6
Choose a head ref
  • 5 commits
  • 25 files changed
  • 1 contributor

Commits on Oct 6, 2022

  1. two build functions documented

    @dprada
    dprada committed Oct 6, 2022
    Copy the full SHA
    8c35c4c View commit details

Commits on Oct 7, 2022

  1. Adding a the add_missing_hydrogen_atoms notebook to the documentation

    @dprada
    dprada committed Oct 7, 2022
    Copy the full SHA
    e1b548b View commit details

Commits on Oct 8, 2022

  1. notebooks in documentation updated

    @dprada
    dprada committed Oct 8, 2022
    Copy the full SHA
    16c40d8 View commit details

Commits on Oct 10, 2022

  1. In proces

    @dprada
    dprada committed Oct 10, 2022
    Copy the full SHA
    7760fe3 View commit details

Commits on Oct 17, 2022

  1. Merge pull request #94 from dprada/main 

    Documentation in process
    @dprada
    dprada authored Oct 17, 2022
    Copy the full SHA
    f8212ec View commit details
Showing with 3,234 additions and 995 deletions.
  1. +410 −0 docs/_static/nglview/user/tools/build/build_peptide/alanine_dipeptide.html
  2. +1,204 −0 docs/_static/nglview/user/tools/build/build_peptide/cationic_peptide.html
  3. +5 −1 docs/contents/user/tools/basic/contains.ipynb
  4. +5 −1 docs/contents/user/tools/basic/convert.ipynb
  5. +10 −2 docs/contents/user/tools/basic/copy.ipynb
  6. +5 −1 docs/contents/user/tools/basic/get.ipynb
  7. +5 −1 docs/contents/user/tools/basic/info.ipynb
  8. +21 −134 docs/contents/user/tools/basic/is_composed_of.ipynb
  9. +520 −163 docs/contents/user/tools/build/add_missing_heavy_atoms.ipynb
  10. +132 −46 docs/contents/user/tools/build/add_missing_hydrogens.ipynb
  11. +228 −204 docs/contents/user/tools/build/add_missing_terminal_cappings.ipynb
  12. +116 −88 docs/contents/user/tools/build/build_peptide.ipynb
  13. +81 −40 docs/contents/user/tools/build/get_atoms_with_alternate_locations.ipynb
  14. +77 −36 docs/contents/user/tools/build/get_missing_bonds.ipynb
  15. +266 −169 docs/contents/user/tools/build/get_missing_heavy_atoms.ipynb
  16. 0 docs/contents/user/tools/build/{get_missing_terminals.ipynb → get_missing_terminal_cappings.ipynb}
  17. +1 −0 docs/contents/user/tools/build/index.md
  18. +0 −75 docs/contents/user/tools/build/metenkephalin.pdb
  19. +20 −14 docs/contents/user/tools/structure/get_distances.ipynb
  20. +5 −0 molsysmt/api_forms/api_mmtf_MMTFDecoder.py
  21. +6 −0 molsysmt/api_forms/api_string_pdb_id.py
  22. +6 −19 molsysmt/basic/view.py
  23. +55 −0 molsysmt/form/mmtf_MMTFDecoder/get.py
  24. +55 −0 molsysmt/form/string_pdb_id/get.py
  25. +1 −1 molsysmt/structure/get_neighbors.py
Loading