CCP4 SFALL program

Brad Poland brad at helix0.chem.iastate.edu
Tue Jan 24 09:34:14 EST 1995


Dave Love (d.love at dl.ac.uk) wrote:
: >>>>> In article <3flu82$ffv at news.iastate.edu>, brad at helix0.chem.iastate.edu (Brad Poland) writes:

:  > other wise your scattering factor for this atom will be off

: I don't think this is true.

It depends on what the program does, right?  If the program doesn't like the
atom type you give it, it has two options. 1) give it the scattering factor of
an atom type that corresponds to the first letter in the atom name or 2) totally
ignore that atom.  In the latter case your scattering factor for that atom WILL 
be off.  However, like my previous post mentioned, this should not significantly
affect the structure factor calculation on a molecule containing 1000+ atoms.


--
                                                              __o      o
Brad Poland, ISU Ames, IA.                     ____/\o__   _ |/<_     <\
brad at helix0.chem.iastate.edu                              (_)| (_)   / >

Some people eat to train, I train to eat!


 




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