All:
We are running CCP4 v6.1.3. I have recently tried to use the Program SC, which calculates Surface Complementarity of an interface between two components. I can get it to run fine, but I have one complex, where one of the partners has
carbohydrate residues, which have atoms that are not part of the standard library, sc_radii.lib. The sc.doc file notes that one can use one's own atomic radii library by adding the keyword, SCRADII to the command line, i.e.
% sc XYZIN foo.pdb SCRADII my_radii.lib
However, the log file shows that SC is continuing to use $CLIBD/sc_radii.lib, rather than the library I have tried to provide.
·
Has anyone had any recent experience using SC with using their own radii library?
o
If so, how did you make it work?
·
Is it possible that this program is used so rarely that the mechanism for using one's own radii library was accidentally broken and no one noticed?
Steven