Mike Beachy e0ed5da44b handle structures with 100,000 or more atoms ...

- the pdb format requires a 5-character field for the atom number; the
  hybrid-36 format allows up to a ridiculous number of atoms

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

add test framework

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

runtest.py

add test framework

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