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DCDWriter writes unit cell angles instead of documented cos(angles)

Component-Writers

Format-CHARMM/NAMD

#5069

· orbeckst opened

on Jun 26, 2025

·

the <code>InterRDF_s</code> class is significantly slower than running multiple <code>InterRDF</code> instances sequentially

Component-Analysis

#5067

· gitzhangch opened

on Jun 21, 2025

create separate test file for lib.mdamath

#5064

· orbeckst opened

on Jun 11, 2025

Chain ID not detected in DCD and PDB files created with VMD

more information needed

#5058

· biomolsim opened

on Jun 2, 2025

MDAnalysis fails with Cython 3.1.0

maintainability

#5057

· IAlibay opened

on May 31, 2025

Bug in conversion units of speed

#5051

· raulloiscuns opened

on May 27, 2025

confusing error message from DSSP for too short peptide stretches

Component-Analysis

#5046

· mrobinson-hub opened

on May 14, 2025

Incorrect versionchanged for changes in #3608

#5044

· RMeli opened

on May 9, 2025

Query: amino acid residue charges

#5032

· tylerjereddy opened

on Apr 18, 2025

Support for Amber NetCDF Restart Files (.ncrst)

Component-Readers

Component-Topology

#5030

· jeremyleung521 opened

on Apr 17, 2025

Support for MDAnalysis packages dealing with non-linear time dump

Component-Analysis

#5028

· gitsirsha opened

on Apr 16, 2025

update license string to SPDX

#5022

· orbeckst opened

on Apr 11, 2025