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: Discngine/fpocket
Failed to load repositories. Confirm that selected base ref is valid, then try again.
Loading
base: 4.1.1
Choose a base ref
...
head repository: Discngine/fpocket
Failed to load repositories. Confirm that selected head ref is valid, then try again.
Loading
compare: 4.1.2
Choose a head ref
  • 16 commits
  • 723 files changed
  • 2 contributors

Commits on Jan 11, 2024

  1. issue-107 accepting long chain & ligand names, exit code handling & r… 

    …ef test output. Fixes on molfile plugin for cif reading
    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    4f48931 View commit details
    Browse the repository at this point in the history

  2. issue-107 updated docker file

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    ff92eaf View commit details
    Browse the repository at this point in the history

  3. issue-107 updating molfile plugin for linux 64 bit

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    73e911a View commit details
    Browse the repository at this point in the history

  4. Merge remote-tracking branch 'origin' into issue-107

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    fc1dac6 View commit details
    Browse the repository at this point in the history

  5. updating validation pp

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    e3347e6 View commit details
    Browse the repository at this point in the history

  6. adding back sample output

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    6463aee View commit details
    Browse the repository at this point in the history

  7. issue-107 fixing segfault in linux

    Oracle Public Cloud User committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    9f7e173 View commit details
    Browse the repository at this point in the history

  8. issue-107 fixing missing null check

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    5798943 View commit details
    Browse the repository at this point in the history

  9. Merge branch 'issue-107' of https://github.com/Discngine/fpocket into… 

    … issue-107
    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    5967a8f View commit details
    Browse the repository at this point in the history

  10. Merge pull request #125 from Discngine/issue-107 

    Issue 107 adapting to long chain & residue names & molfile fixes
    @pschmidtke
    pschmidtke authored Jan 11, 2024
    Configuration menu
    Copy the full SHA
    96a6ed3 View commit details
    Browse the repository at this point in the history

  11. sample structure with long chain names

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    79e16f8 View commit details
    Browse the repository at this point in the history

  12. copying auth chain name to chain in fpocket

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    a206c79 View commit details
    Browse the repository at this point in the history

  13. update of auth chain output for 3vi4

    @pschmidtke
    pschmidtke committed Jan 11, 2024
    Configuration menu
    Copy the full SHA
    11cff11 View commit details
    Browse the repository at this point in the history

  14. Merge pull request #126 from Discngine/fixmmcifwriting 

    Fixmmcifwriting
    @pschmidtke
    pschmidtke authored Jan 11, 2024
    Configuration menu
    Copy the full SHA
    9ff11f6 View commit details
    Browse the repository at this point in the history

Commits on Jan 25, 2024

  1. fixing mmcif writing for db mode

    @pschmidtke
    pschmidtke committed Jan 25, 2024
    Configuration menu
    Copy the full SHA
    c87362f View commit details
    Browse the repository at this point in the history

  2. Merge pull request #128 from Discngine/issue-127 

    fixing mmcif writing for db mode
    @pschmidtke
    pschmidtke authored Jan 25, 2024
    Configuration menu
    Copy the full SHA
    beb472b View commit details
    Browse the repository at this point in the history
Loading