Mstk

Latest version: v0.3.19

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0.3.12

- do not deepcopy topology and force field for system initialization
- ZFF file supports comments for both the whole force field and a single FF term
- remove temp files after running Packmol
- bug fix for conformer generation for a molecule

0.3.11

- System accepts incomplete force field

0.3.10

- [bug fix for set positions in a frame](https://github.com/z-gong/mstk/commit/8245d5197cdfcd2321367e9d37af17d5ea4cb4ce)
- [use ? to mark adjustable parameters in ZFF and ZFP file](https://github.com/z-gong/mstk/commit/f44fc52d3418c15e0803f655c5dea931726b8efd)

0.3.9

- StateDataReporter can report energy contribution from individual force groups

0.3.8

- Read/write GRO file as topology

0.3.7

- Use `chemfiles` to read/write DCD file. Remove dependency on `mdtraj`
- Split `quick-sim.py` to two scripts: `sim-build.py` and `sim-export.py`

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