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protein-structure

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peterjc
peterjc commented Dec 18, 2018

Setup

Seen with latest code from git while preparing the 1.73 release on Linux, but applies to all platforms.

Expected behaviour

$ python run_tests.py test_PDB_StructureAlignment.py
Python version: 2.7.15 | packaged by conda-forge | (default, Jul 27 2018, 10:26:36) 
[GCC 4.8.2 20140120 (Red Hat 4.8.2-15)]
Operating system: posix linux2
test_PDB_StructureAlignment ... ok
jgreener64
jgreener64 commented Oct 29, 2018

This issue is a roadmap for Molly.jl development. Feel free to discuss things here or submit a PR. Bear in mind that significant refactoring will probably occur as the package develops.

Low hanging fruit

Want to get involved? These issues might be the place to start:

  • Speedups to the code. Both on the level of individual functions and the overall algorithm. [Getting there]
  • Look over

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