Just declaring what the methods are and how they'll work
Added angle.py to extract bond angles (like contact.py and dihedral.py), and internal.py to extract the a complete set of redundant internal coordinates
I think it's working now
I think it's working now
Cleaned up a little bit; I think there is still a problem though -- i'm getting 3 more nonredundant internal coordinates in alanine than I should
remove extranious print statement
Fixed critical segfault bug in angles code when there was more than one frame in trajectory
Just declaring what the methods are and how they'll work
Added angle.py to extract bond angles (like contact.py and dihedral.py), and internal.py to extract the a complete set of redundant internal coordinates
I think it's working now
I think it's working now
Cleaned up a little bit; I think there is still a problem though -- i'm getting 3 more nonredundant internal coordinates in alanine than I should
remove extranious print statement
Fixed critical segfault bug in angles code when there was more than one frame in trajectory
fixes in progress
moved test to tests/ dir and fixed a pep8
moved test to tests/ dir and fixed a pep8
merge fix
Small fix
added license header