Commit | Date | |
---|---|---|
[r6828]
by
bugman
Fix for the extraction of bond vectors. When all vectors are asked for, now all vectors are placed into the spin container. |
2008-07-08 00:28:37 | Tree |
[r6827]
by
bugman
Improved the extracted bond vector print out to show the atom names of the vector. |
2008-07-08 00:22:30 | Tree |
2008-07-08 00:18:10 | Tree | |
2008-07-08 00:09:02 | Tree | |
[r6824]
by
bugman
Added the missing return_name and return_warnings args to the Scientific PDB bond_vectors() method. |
2008-07-08 00:06:29 | Tree |
[r6823]
by
bugman
Added the missing return_name and return_warnings args to the structural API bond_vectors() method. |
2008-07-08 00:04:51 | Tree |
2008-07-08 00:00:59 | Tree | |
[r6821]
by
bugman
Fix for the bond_vectors() method - the spin.attached_atom variable is correctly set. |
2008-07-07 23:51:56 | Tree |
2008-07-07 23:46:47 | Tree | |
[r6819]
by
bugman
Modified the __find_bonded_atom() and bond_vectors() methods to return more data. This additional data is the name of the attached atom and any warnings when trying to find the |
2008-07-07 23:41:48 | Tree |