Search results

Deprecation warning in hbonds_autocorrel.py is always shown - warning filter uses always

Status: Open.

#5157 In MDAnalysis/mdanalysis;

· spyke7 opened on Nov 24, 2025

Add option for <code>gemmi</code> backend for PDB reading

Component-Readers

Format-PDB

Status: Open.

#5141 In MDAnalysis/mdanalysis;

· marinegor opened on Nov 6, 2025

Incorrect unwrapping for LAMMPS trajectories due to unused image flags for periodic boundary condition

format-LAMMPS

PBC

Status: Open.

#5138 In MDAnalysis/mdanalysis;

· gitsirsha opened on Oct 28, 2025

Several contributions from v2.10.0 are missing from either changelog or authors

Status: Open.

#5136 In MDAnalysis/mdanalysis;

· IAlibay opened on Oct 25, 2025

missing test for LAMMPS DumpReader for ValueError when missing coordinates

format-LAMMPS

help wanted

testing

Status: Open.

#5127 In MDAnalysis/mdanalysis;

· orbeckst opened on Oct 14, 2025

Disable build isolation in pip only cron tests after next release

Status: Open.

#5125 In MDAnalysis/mdanalysis;

· IAlibay opened on Oct 12, 2025

Convert units of trajectory data when constructing a universe

format-LAMMPS

units

Status: Open.

#5115 In MDAnalysis/mdanalysis;

· jkalayan opened on Sep 24, 2025

Use native scipy periodic KDTree for orthorhombic boxes?

help wanted

PBC

performance

Status: Open.

#5114 In MDAnalysis/mdanalysis;

· orbeckst opened on Sep 14, 2025

guess_TopologyAttrs guesses incorrect bonds for DMS lipids in MDAnalysis &gt; 2.7.0

Component-Topology

defect

Status: Open.

#5102 In MDAnalysis/mdanalysis;

· ricard1997 opened on Aug 27, 2025

Inncorrect use of simple method when random frames are selected in run()

Component-Analysis

defect

Status: Open.

#5100 In MDAnalysis/mdanalysis;

· gitsirsha opened on Aug 18, 2025

Cite: Add citation to <code>IMDReader</code> once IMDv3 paper is published

Status: Open.

#5094 In MDAnalysis/mdanalysis;

· amruthesht opened on Aug 4, 2025

Parse hexadecimal resid from OpenMM in PDBParser

decision neededrequires input from developers before moving furtherrequires input from developers before moving further

Format-PDB

Status: Open.

Feature

#5089 In MDAnalysis/mdanalysis;

· rladbtls1998 opened on Jul 24, 2025