[Chimera-users] Chains as separate molecules

Thomas Goddard goddard at cgl.ucsf.edu
Tue Apr 4 12:35:05 PDT 2006


Hi Charlie,

  There is not a standard molecule deep copy routine in Chimera.
The "split" command python code (in __init__.py) contains about 80 lines
of code to copy atoms of a chain as a separate molecule, preserving most
of the display style (ribbon, sphere, coloring, ...).  It does not
preserve everything, for example, if you change atom radii or bond
linewidth, I didn't copy these attributes.  Why not?  Laziness.

  Two other Chimera tools, Unit Cell and Multiscale Models, also copy
molecules and they use other code (written by me):

	share/PDBmatrices/copymolecule.py

This is even a more basic copying (36 lines of code) that copies only
the data (atom names, connectivity, residue numbers) but not the
display attributes like colors, ribbon display, atom style (sphere,
ball and stick, ...).

  We probably should have a copy routine that copies everything but it
hasn't been a pressing need so far.

	Tom



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