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transform_to_assembly and connectivity for pdb vs cif

Status: Open.

#388 In project-gemmi/gemmi;

· rimmartin opened on Aug 11, 2025

The Python test 'test_syntax_error' fails with syntax error

Status: Open.

#384 In project-gemmi/gemmi;

· yurivict opened on Jul 22, 2025

How to patch the organic fragment across unit cell boundaries? Thanks!

Status: Open.

#377 In project-gemmi/gemmi;

· zhangfq-chemistry opened on Jul 1, 2025

Generate symmetry environment

Status: Open.

#365 In project-gemmi/gemmi;

· isohelio opened on May 12, 2025

"gemmi convert" - HETNAM record

Status: Open.

#331 In project-gemmi/gemmi;

· CV-GPhL opened on Sep 5, 2024

Gemmi setup MapReorderOnly never sets AxisOrder for a grid

Status: Open.

#322 In project-gemmi/gemmi;

· gabriellareggiano opened on Jul 3, 2024

OBSLTE from pdb and cif input

Status: Open.

#284 In project-gemmi/gemmi;

· rimmartin opened on Oct 6, 2023

[FEATURE REQUEST] initial data_comp_list section in ChemComp output

Status: Open.

#269 In project-gemmi/gemmi;

· rimmartin opened on Jun 14, 2023

Add support for PEP 519 (file system path protocol)

Status: Open.

#101 In project-gemmi/gemmi;

· Anthchirp opened on Apr 19, 2021

GroupOps.epsilon_factor_without_centering([0, 0, 0]) is twice Sgtbx result for centric space groups

Status: Open.

#46 In project-gemmi/gemmi;

· kmdalton opened on Aug 5, 2020

[Feature Request] RMSD for comparing small molecules

Status: Open.

#43 In project-gemmi/gemmi;

· ConorFWild opened on Jul 22, 2020

REVDAT entry converted to PDB format

low-priority

Status: Open.

#20 In project-gemmi/gemmi;

· jsoerensen opened on Mar 17, 2020