Comments (2)
Bio.PDB reader also misses atoms when two atoms have the same name in a
residue. This is bad so I am changing the MDAnalysis default to use the
PrimitivePDBReader (see ReleaseNotes070 and r530).
Original comment by orbeckst
on 2 Nov 2010 at 12:32
from mdanalysis.
I don't think we can do anything about this except getting rid of the Bio.PDB
reader. I am closing this as won't fix.
Original comment by orbeckst
on 13 Sep 2011 at 3:24
- Changed state: WontFix
- Added labels: Priority-Low
- Removed labels: Priority-Medium
from mdanalysis.
Related Issues (20)
- Error when setting up BAT after selecting only heavy atoms HOT 1
- PDB Reader can stream from AWS s3 buckets with minimal modification HOT 3
- TST, MAINT: test_thread_limit_apply failure with NumPy 2.1.0.dev HOT 4
- Package tests failing due to normalilzation change HOT 1
- Add code coverage options due to many `codecov` failures recently HOT 3
- Explore solutions for codecov upload failures
- Benchmark guessers with asv HOT 2
- Unpin mypy rdkit version
- Add example for writing to NamedStream StringIO buffer
- macOS python3.11 fails to install `mdanalysis[all]` from git branch directly (not always though) HOT 10
- Build fails: incompatible function pointer types initializing HOT 9
- Issue when reading 4000+ pdb files in the same Universe HOT 10
- Use a single warning interface. HOT 5
- `H5MD` Can not read `observables/<group>/<observable>/...` HOT 11
- Downloading / Streaming Trajectories from MDDB HOT 4
- Support for Gromacs 2024 tpr HOT 2
- inconsistent storage of `times` and `frames` attributes in `AnalysisBase` classes HOT 2
- CI fails when numpy 2.0.0 is installed HOT 3
- Unpin rdkit imports once rdkit supports numpy 2.0
- Unpin parmed imports once parmed supports numpy 2.0
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