Commit | Date | |
---|---|---|
[r2753]
by
bugman
Fixed a problem with 'self.atom_add()' where 'res_num' was being accessed as 'residue_num'. |
2006-11-05 09:48:38 | Tree |
2006-11-05 09:47:09 | Tree | |
[r2751]
by
bugman
The function 'self.create_tensor_pdb()' has been modified for the new 'self.atomic_data' structure. The centre of mass, vector distribution, and axes have been turned into individual residues. |
2006-11-05 09:29:59 | Tree |
[r2750]
by
bugman
Readjustment of 'self.atomic_data' and the addition of epydoc fields to 'self.atom_add()'. The record name has been removed as this can be determined by the 'self.write_pdb_file()' function. |
2006-11-05 09:08:53 | Tree |
[r2749]
by
bugman
Expanded the 'self.atomic_data' data structure to include most of the PDB HETATM fields. |
2006-11-05 08:55:32 | Tree |
[r2748]
by
bugman
Added the function 'self.get_chemical_name()'. This returns the chemical name corresponding to the supplied hetID string. |
2006-11-05 08:11:38 | Tree |
[r2747]
by
bugman
Rewrote the docstring of the 'self.write_pdb_file()' function to include PDB record descriptions. Desriptions of the PDB records HET, HETNAM, FORMUL, HETATM, TER, CONECT, MASTER, and END including |
2006-11-05 07:56:07 | Tree |
2006-11-04 09:59:35 | Tree | |
[r2745]
by
bugman
A few small edits of the release checklist and fixed the scons target 'user_manual_html'. |
2006-11-04 09:30:24 | Tree |
2006-11-04 08:47:11 | Tree |