[med-svn] [Git][med-team/pdb2pqr][upstream] New upstream version 3.6.1+dfsg

[Nilesh Patra (@nilesh)]

Nilesh Patra pushed to branch upstream at Debian Med / pdb2pqr


Commits:
27918142 by Nilesh Patra at 2023-05-10T13:59:45+05:30
New upstream version 3.6.1+dfsg
- - - - -


30 changed files:

- − .github/workflows/get_version.yml
- − .github/workflows/python-package.yml
- .readthedocs.yaml
- COPYING
- − ChangeLog.md
- LICENSE.md
- docs/source/api/index.rst
- docs/source/conf.py
- docs/source/getting.rst
- docs/source/releases.rst
- docs/source/using/index.rst
- pdb2pqr/_version.py
- pdb2pqr/biomolecule.py
- pdb2pqr/config.py
- pdb2pqr/dat/AA.xml
- pdb2pqr/dat/HYDROGENS.xml
- pdb2pqr/dat/NA.xml
- pdb2pqr/dat/PATCHES.xml
- pdb2pqr/dat/TOPOLOGY.xml
- pdb2pqr/main.py
- pdb2pqr/utilities.py
- setup.py
- tests/common.py
- tests/core_test.py
- + tests/data/1AFS_pka.csv
- + tests/data/1FAS_pka.csv
- + tests/data/1K1I_pka.csv
- + tests/data/5D8V_pka.csv
- + tests/data/5DV8_pka.csv
- + tests/data/5vav_cyclic_peptide.pdb


The diff was not included because it is too large.


View it on GitLab: https://salsa.debian.org/med-team/pdb2pqr/-/commit/279181420b3fb43d6f81d4f194a50230b669becf

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