Matvey Adzhigirey 73c7a2a4be optimize a number of functions ...

- Major optimization of the put_atom_in_box() function.
- Major optimization of the protein_precheck() function.
- Minor optimization in radial_volume_desolvation()
- Optimization in top_up() to scale for large structures.

2014-02-27 18:15:18 -05:00

..

pdb

unittesting and readme update

2012-11-19 18:36:24 +01:00

results

unittesting and readme update

2012-11-19 18:36:24 +01:00

__init__.py

add test framework

2014-02-22 17:51:04 -05:00

.gitignore

unittesting and readme update

2012-11-19 18:36:24 +01:00

hybrid36.py

handle structures with 100,000 or more atoms

2014-02-27 18:15:18 -05:00

pkacalc_test.py

optimize a number of functions

2014-02-27 18:15:18 -05:00

runtest.py

add test framework

2014-02-22 17:51:04 -05:00