project-gemmi gemmi issues

project-gemmi / gemmi

macromolecular crystallography library and utilities

https://project-gemmi.github.io/

Mozilla Public License 2.0

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issues

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Allow wider MODEL field to increase maximum number of models

#342 akors closed 5 hours ago
1
Issue with find_nearest_pbc_position in Gemmi Neighbor Search

#340 MichalGucwa closed 2 weeks ago
2
calculating 1/d^2 is returning an array containing the same number.

#339 scatter3d closed 1 month ago
4
get_cra() ; with with typo

#338 MartinMalyMM closed 1 month ago
1
Crash when reading an mmjson file created by gemmi

#336 jasondbiggs closed 2 months ago
1
Add support for BinaryCIF

#335 jasondbiggs closed 2 months ago
1
I still suggest gemmi can generate crystal slab or surface. Thanks!

#334 zhangfq-chemistry closed 2 months ago
1
pdbx_PDB_model_num type & content

#332 rimmartin closed 4 weeks ago
2
"gemmi convert" - HETNAM record

#331 CV-GPhL opened 2 months ago
8
Segmentation Fault, Core Dumped

#330 m-crown closed 2 months ago
9
`gemmi.read_structure` fails to load some cif files from PDB-Dev

#329 NatureGeorge closed 2 months ago
1
compile error under ubuntu 24

#328 zhangfq-chemistry closed 2 months ago
1
got zero models from mmcif written from pymol selection, expected one model

#327 diogomart closed 3 months ago
2
Feature request: Gemmi alternative to 'NOISE' option of PDBSET

#326 drlemmus closed 2 months ago
3
PyMol saves mmCIF without auth_seq_id, fall back to label_seq_id

#325 milot-mirdita closed 4 months ago
1
[Feat] Ability to interpolate an array of coordinates

#324 jrobsontull closed 1 month ago
4
Interpolating many points in Python

#323 jrobsontull closed 2 months ago
2
Gemmi setup MapReorderOnly never sets AxisOrder for a grid

#322 gabriellareggiano opened 4 months ago
1
-f <file> seems not to work as I expect

#321 KayDiederichs closed 4 months ago
2
Shared library is unversioned

#320 badshah400 closed 5 months ago
4
Add Custom Boolean Check for Model Objects

#319 Dialpuri closed 5 months ago
1
Segfault when using the result of Chain.subchains()

#317 jackdent opened 5 months ago
4
Float comparison fails `static_assert(weights[static_cast<int>(El::D)] == 2.0141, "Hmm")` on some architectures

#316 merkys closed 5 months ago
7
Creating a structure from list of residues and their coordinates

#315 marinegor closed 5 months ago
2
[Question] bulk reading mmcif coordinates into a numpy array

#314 marinegor closed 6 months ago
2
[Bug Report] read_pdb mishandle the columns of extreme wild pdb files

#313 minhuanli closed 6 months ago
5
Gemmi read_ccp4_map fails to correctly set the correct spacing from a .MAP file

#312 jrobsontull closed 6 months ago
2
Advice to deal with AF3's broken CIF files

#311 milot-mirdita closed 6 months ago
1
pdb/cif entity subchain comparisons

#309 rimmartin closed 6 months ago
1
Bug in `get_all_unit_cell_sites()`

#308 fxcoudert closed 7 months ago
5
crash with set_extent

#307 JoshRackers closed 7 months ago
4
[FEATURE REQUEST] Add Python typing for `Vec3.__iter__`

#306 rjdirisio closed 7 months ago
2
Give the `Assembly` class a nicer string representation

#305 kalekundert closed 8 months ago
1
Adding additional properties to the Structure object present in the cif atom_site table

#304 danny305 closed 6 months ago
1
TER's effecting aligning

#303 rimmartin closed 8 months ago
4
sequence aligning with align_sequence_to_polymer

#302 rimmartin closed 7 months ago
10
Apparent sudden extra dependency for gemmi (zlib)

#301 helenginn closed 8 months ago
5
Missing _struct_ref_seq in cif generated from PDB without optional TER.

#299 xvlaurent closed 8 months ago
2
crash with very large mmCIF files (and large number of datablock) in gemmi grep

#298 CV-GPhL closed 8 months ago
11
Segfault when importing `gemmi.cif`

#297 j-c-c closed 9 months ago
2
Uses of graph isomorphism and pynauty?

#296 j2kun closed 9 months ago
2
auto completion for gemmi grep

#295 frmupe closed 9 months ago
1
CID parser syntax error when negative sequence number is present

#294 scotthoh closed 10 months ago
0
python bindings: convert from pybind11 to nanobind, add type stubs

#293 wojdyr closed 2 months ago
1
Vulnerability in `tinydir_file_open()`: buffer overflow

#292 merkys closed 11 months ago
2
1 test fails

#291 yurivict closed 10 months ago
1
Issues with `gemmi::remove_ligands_and_waters`

#290 FilomenoSanchez closed 11 months ago
4
Issue creating gemmi selections

#289 FilomenoSanchez closed 11 months ago
4
Gemmi fails to set the true grid spacing if origin is not (0, 0 ,0) for a CCP4 map

#288 jrobsontull closed 11 months ago
4
Publishing PDB REMARK X's

#287 rimmartin closed 11 months ago
4