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CREST → ChiLife: How to use external conformers?

Status: Open.

#204In StollLab/chiLife;

· vishal9506 opened on Apr 28, 2026

How to fix the label clashing with itself

Status: Open.

#195In StollLab/chiLife;

· vishal9506 opened on Jun 4, 2025

fit_alignment not used - remove code?

Status: Open.

#193In StollLab/chiLife;

· stestoll opened on May 2, 2025

Example Codes Fail

Status: Open.

#188In StollLab/chiLife;

· kylezhang1011 opened on Apr 7, 2025

New support for icodes breaks repacking if icode is not prepsent in MDA.Universe

Status: Open.

#184In StollLab/chiLife;

· mtessmer opened on Feb 18, 2025

Rotlibs without hydrogens made from RotamerEnsemble.to_library() are not useable.

Status: Open.

#166In StollLab/chiLife;

· mtessmer opened on Oct 14, 2024

How to handle repack when using SpinLabels made from ORS?

Status: Open.

#163In StollLab/chiLife;

· mtessmer opened on Sep 10, 2024

MMM rotlibs are missing N-terminal hydrogen.

Status: Open.

#155In StollLab/chiLife;

· mtessmer opened on Aug 5, 2024

Implement optional Jax backend

Status: Open.

#152In StollLab/chiLife;

· mtessmer opened on Jul 16, 2024

Add conda install instructions to README

Status: Open.

#145In StollLab/chiLife;

· mtessmer opened on May 28, 2024

Add description of PDB-file organization to docs

Status: Open.

#81In StollLab/chiLife;

· mtessmer opened on May 5, 2023