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. |
| 5 | October 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 | |
| 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: ** 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 | |
| 11 | July 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 |