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List of extensions
Max Linke edited this page Nov 10, 2017
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MDAnalysis uses lots of extensions, below is a list of them and their readiness for Python 3
Extension | Description | Language | Python 3 ready? | Solved in |
---|---|---|---|---|
coordinates._dcd | DCD format reader | CPython | No (Cpython api changed) | done |
coordinates.dcdtimeseries | Timeseries for DCD | Cpython | No (as above) | removed |
lib._distances | Distance calculations | C / Cython | Yes? | done |
lib._distances_openmp | Parallel of above | C / Cython | Yes? | done |
More parallel distances | Cython | Yes?? | #530 | |
lib.qcprot | RMSD via QCP | Cython | Yes? | done |
lib._transformations | Coordinate transformations | C/CPython | Probably (#401) | done |
KDTree for distance searches | CPP/SWIG | yes (originally no #383) | 395 (now using Biophyton) | |
coordinates.xdrfile | Gromacs format reader | C/Swig | No (#211) | 441 |