I thought I knew that a b factor of zero was a flag for not including an atom
in the structure factor calculation. Was I wrong? I think I got the idea
because the generated hydrogens are given a b of 0.0. Generated hydrogens can
be seperated into those whose position is calculable such as amide hydrogens
and the rest. Does anyone include the first class in their structure factor
calculation?
TIA,
Jim
--
James Raftery
Structural Chemistry Department|E-Mail:jrtest at spec.ch.man.ac.uk
Manchester University | FAX:0161-275-4734
Manchester M13 9PL | Tel.:0161-275-4700
