Changes between Version 544 and Version 545 of ChangeLog


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Timestamp:
Oct 1, 2025, 12:53:07 PM (2 weeks ago)
Author:
Elaine Meng
Comment:

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  • ChangeLog

    v544 v545  
    33This log includes significant new features of interest to users. Smaller enhancements, minor feature additions, and minor bug fixes are usually not included. Dates are approximate.
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    5 October 2, 2025: ** Minimization ** - The [http://www.rbvi.ucsf.edu/chimerax/docs/user/commands/minimize.html minimize] command minimizes structures using the [https://openmm.org OpenMM] molecular simulation library.
    6 
    7 August 20, 2025: ** Batch ligand binding predictions ** - Predict binding of tens or hundreds of ligands to protein complexes using [https://www.rbvi.ucsf.edu/chimerax/data/boltz-apr2025/boltz_help.html#ligands Boltz 2 in ChimeraX]. Demonstration [https://youtu.be/h06yOBcaOqc video].
    8 
    9 August 12, 2025: ** Chirality ** - The [http://www.rbvi.ucsf.edu/chimerax/docs/user/commands/chirality.html chirality] command reports the chirality of stereo centers to the Log.  There are some caveats, as mentioned in the linked help page.
    10 
    11 July 30, 2025: ** Save MD plots ** - saving the plot to an image file in a variety of formats available from the plot dialog's context menu.
     5October 2, 2025: ** General minimization ** - the [http://www.rbvi.ucsf.edu/chimerax/docs/user/commands/minimize.html minimize] command energy-minimizes atomic structures, including nonstandard residues such as ligands, using [https://openmm.org OpenMM]
     6
     7August 20, 2025: ** Batch ligand-binding predictions ** - Predict binding of tens or hundreds of ligands to protein complexes using [https://www.rbvi.ucsf.edu/chimerax/data/boltz-apr2025/boltz_help.html#ligands Boltz 2 in ChimeraX]. Demonstration [https://youtu.be/h06yOBcaOqc video].
     8
     9August 12, 2025: ** Report chirality ** - the [http://www.rbvi.ucsf.edu/chimerax/docs/user/commands/chirality.html chirality] command reports the chirality of stereocenters to the Log; see [http://www.rbvi.ucsf.edu/chimerax/docs/user/commands/chirality.html limitations...]
     10
     11July 30, 2025: ** Save MD plots ** - [https://rbvi.ucsf.edu/chimerax/docs/user/commands/coordset.html#slider MD plots] can be saved to an image file using the plot dialog's context menu
    1212
    1313July 24, 2025: ** Boltz 2 structure prediction ** - structure prediction of proteins, nucleic acids, and small-molecule ligands, with affinity prediction (not available in the previous Boltz 1); [https://www.rbvi.ucsf.edu/chimerax/data/boltz-apr2025/boltz_help.html details...]