XPLOR-NIH 2.24 updates
The following helper scripts have been
updated. Please download and
copy the files to the bin subdirectory of the Xplor-NIH distribution,
and then rerun ./configure.
calcSAXS.in - helper script to calculate the
SAXS curve given one or more molecular structures.
-
fixed boundary layer fitting such that the boundary layer density
is not always zero.
calcTensor.in - helper script to
calculate the RDC alignment tensor given one or more structures.
-
Did not always correctly scale Da prefactors when multiple
alignment tables were entered.