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41 Open 135 Closed
41 Open 135 Closed
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Issues list

the version of chemfiles does not match chemfiles-lib and chemfiles-python in conda-forge
#477 opened May 9, 2023 by z-gong
3
[feature request] Feasibility of reading angle dihedral and improper A-formats A-internals
#476 opened May 4, 2023 by Roy-Kid
8
Tracking issue for release 0.10.4
#475 opened Apr 19, 2023 by Luthaf
17 of 18 tasks
"mmap failed" for binary formats on WSL1 A-internals
#464 opened Oct 24, 2022 by z-gong
9
Add support for symbolic Atom types in LAMMPS A-formats
#462 opened Sep 12, 2022 by Luthaf
Mechanism to pass arbitrary metadata to readers/writers
#454 opened Jul 16, 2022 by Luthaf
1
N-terminal hydrogens not listed in PDB connectivity A-formats
#429 opened Oct 6, 2021 by jgreener64
2
Symmetry operations (pdbx_struct_oper_list) in mmCIF A-formats
#427 opened Sep 23, 2021 by Luthaf
6
Handling of unit cell parameters when they are missing from the file A-documentation A-formats
#419 opened Aug 26, 2021 by shoubhikraj
1
7
Document internal units used in chemfiles; and guarantees around these units for each format A-documentation
#397 opened Mar 2, 2021 by Luthaf
Support for DTR files A-formats
#369 opened Sep 13, 2020 by jmintser
1
Add documentation for adding a new format A-documentation A-internals
#367 opened Sep 10, 2020 by Luthaf
VASP POSCAR format A-formats
#365 opened Sep 9, 2020 by seatonullberg
3
Support for 1-based indexing in the C API A-API A-internals
#363 opened Jul 28, 2020 by Luthaf
6
Track current line number and use it in error messages for text formats A-formats A-internals
#359 opened Jul 23, 2020 by Luthaf
Improved bond perception algorithm A-internals
#358 opened Jul 23, 2020 by Luthaf
Read missing residues in PDB A-formats
#346 opened Jun 12, 2020 by sguionni
ranged selection for numerical properties A-selections
#338 opened May 15, 2020 by mdimura
4
Selection functionlity (feature request) A-selections
#321 opened Mar 5, 2020 by rbelousov
2
Enable in-memory IO for NetCDF files A-formats
#320 opened Mar 5, 2020 by Luthaf
Implement PRMTOP AMBER topology format A-formats
#313 opened Feb 17, 2020 by Luthaf
Test on more architectures on CI
#311 opened Feb 5, 2020 by Luthaf
1
Improve atomic properties A-internals
#288 opened Nov 28, 2019 by Luthaf
Support PDBQT format A-formats
#286 opened Nov 28, 2019 by Luthaf
Test behavior when I/O errors happen A-internals
#285 opened Nov 20, 2019 by Luthaf
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