Songlin,
The following is taking from International Table
SCATter ( chemical "Ca" or chemical "CA" )
8.626600 10.442100 7.387300 0.659900 1.589900 85.748398 1.021100 178.436996
1.375100
SCATter ( chemical "Ca+2" or chemical "CA+2" )
15.634800 -0.007400 7.951800 0.608900 8.437200 10.311600 0.853700 25.990499
-14.875000
We will distribute the complete scatter library sooner
with the pre-released new version of x-plor.
Please take precaution of the name of "CA" here is used as the chemical name
for x-ray scattering, not the atom name of alpha carbon (CA).
The chemical name is NOT necessary, though the most are, as the same as
the atom name in X-PLOR.
One can define or change the chemical name by, i.e.
vector do (chemical="Ca") ( name "Calc")
Jiansheng Jiang.
