Hi,
Would anyone disapprove of the idea of renaming the user function
class 'pdb' to 'structure' within the 1.3 line? The change would
involve the renaming of the current user functions (including those of
the 'tensor_pdb' branch) from:
pdb.create_tensor_pdb()
pdb.read()
pdb.vectors()
to the user functions:
structure.create_tensor_pdb()
structure.read_pdb()
structure.vectors()
This would allow the function class to be non-PDB specific and hence
user functions such as 'structure.read_cif()', etc. could be added. A
few additional user functions could include things such as
'structure.create_inertia_pdb()' which duplicates the current
'pdb.create_tensor_pdb()' by creating a geometric representation of
the inertia tensor, 'structure.write_pdb()', 'structure.write_cif()',
etc. If someone wants these uncoded functions, or other new
structural user functions, then you'll need to start writing them ;)
Edward
Renaming the user function class 'pdb' to 'structure' in the 1.3 line.