RE: [PyMOL] Question about crystallographic symmetry

2002-09-25 Thread Frank Vondelft
Hi Michael You seem to be after the biological assembly; in theory, pdb files from the PDB are supposed to have the matrix that will generate this somewhere in the header (REMARKS lines), and that shouldn't be too hard to parse out and apply explicitly to the molecule. Of course, pdb files are n

[PyMOL] Question about crystallographic symmetry

2002-09-25 Thread Michael George Lerner
Hi, I'm looking at a PDB file which, due to symmetry, only provides me with part of the unit cell (in this case I'm looking at 1HHP, which is a dimer but only gives coordinates for the monomer, but I've run across the problem before). I'd like to see the full unit cell. I understand that I can u

[PyMOL] soap-film II

2002-09-25 Thread Ricardo Aparicio
With respect to my previous question, any option in PyMOL would be useful, not necessarily a polygonal surface. Any ideas are welcomed. Thank you, Ricardo Ricardo Aparicio wrote: Dear PyMOL users: To make a structural alignment (2 pdb files) more informative, it would be interestin

[PyMOL] soap-film

2002-09-25 Thread Ricardo Aparicio
Dear PyMOL users: To make a structural alignment (2 pdb files) more informative, it would be interesting to make an image stressing the areas where the discrepancies between the two structures are more evident. One option is to use a polygonal surface linking the c-alfa atoms of consec