Commit | Date | |
---|---|---|
[r5842]
by
bugman
Started to recode the vectors() function. The structural API atom_loop() approach is completely wrong, so the spin_loop() will be used |
2008-04-20 12:30:59 | Tree |
[r5841]
by
bugman
The full spin info is now returned from return_spin() and the modified spins written to stdout. |
2008-04-20 11:36:54 | Tree |
[r5840]
by
bugman
Added the full_info flag arg to return_spin() to allow more info to be returned when desired. This flag will cause the molecule name, residue number and residue name to be returned in addition |
2008-04-20 11:32:46 | Tree |
[r5839]
by
bugman
Deleted the xh_vector() method from the API base class and Scientific Python PDB data object. |
2008-04-20 11:27:34 | Tree |
[r5838]
by
bugman
Shifted the XH vector calculation from the xh_vector() structural API method to the vector() fn. This calculation can be done independently from the type of the structural data object. |
2008-04-20 11:26:25 | Tree |
2008-04-20 10:55:22 | Tree | |
2008-04-20 10:54:02 | Tree | |
2008-04-20 10:52:51 | Tree | |
[r5834]
by
bugman
Renamed generate_spin_id() to generate_spin_id_data_array(), and created a new generate_spin_id(). The generate_spin_id_data_array() function generates the spin_id string from a data array whereas |
2008-04-20 10:51:34 | Tree |
2008-04-20 10:45:08 | Tree |