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Releases: GrossfieldLab/loos

LOOS 3.2

10 Aug 13:19

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This is a major new release of LOOS, with several major changes:

  1. The install has been further stream-lined, especially under Conda. If you build and install in a conda environment, the binaries get installed in the conda bin directory, and the python libraries in the Conda's python site-packages. Under these circumstances, it is no longer necessary to source setup.sh to get paths set correctly. As part of this work, the location of the Voronoi and OptimalMembraneGenerator packages has changed -- any code that imports these packages will need to be updated.

  2. Several new tools:
    a. Better radius of gyration tool rad-gyr (Louis Smith)
    b. New electrostatic potential mesh tool esp_mesh for charge fitting (Chapin Cavender)
    c. Track multiple dihedral angles through a trajectory with dihedrals (Louis Smith)
    d. Categorize RNA structure using ran_suites (Chapin Cavender)
    e. Added experimental tSNE option to cluster-structures.py (requires scikit-learn)

  3. Multiple bug fixes and refinements:
    a. Bug fixed in svd tool, where splitting the v-matrix wasn't done correctly when invoked with multiple trajectories.
    b. aligner tool warns if you choose the --append option with iterative alignment
    c. membrane_map can now run without aligning, useful for tracking membrane domains

LOOS 3.1

19 Dec 19:25
862d635

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This is a major new release. Most importantly, the build system has been totally reworked, so compiling LOOS should be much easier. The preferred approach is to use conda, which (as far as we can tell) works on all linux and mac systems.

v3.0.0

27 Feb 19:56

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This is a major release of LOOS. The biggest changes are:

  • PyLOOS and our build system have switched from python 2.7 to python 3.x
  • a new reweighting facility
  • lots of small bug fixes

LOOS version 2.3.2 release

08 Jul 18:17

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This release includes a number of changes to support our migration to
GitHub as well as some important bug fixes and additions.

For more information, please see the README or ChangeLog files for more details.