π LABODOCK v2.0.0 is here!
This update focuses on improving the code base, implementing informational molecular visualization, and fixing post-installation conda environment corruptions.
Most functions have been refactored and improved, and previous molecular visualization options have been reduced with new being added to provide informative visual inspection π. The conda environment is no longer corrupted by MGLTools
package installation, and you can now install any other packages that require Python 3.10 or higher π. The native ligand preparation step is now optional by default. Should you proceed without this phase, skip the 03 | Preparing the Native Ligand (optional)
section β¨.
See full updates in CHANGELOG.md.