a question regarding carnal. I can specify residues but how do
you specify exact atoms when using the distance calculation DIST. (For
example, instructing the script to measure the distance between the
N-terminal Nitrogen atom and the C-terminal carboxyl carbon).
You can't specify classes of pairs, (for all pairs between
two groups can be done with DISTRIBUTION DIST I think), but
simple pair-of-atoms distances, specify <atom_name residue_number>,
so
DIST d1 N 1 C 2;
for N in res 1 to C in res 2.
Bill Ross
Received on Fri Jun 29 2001 - 16:23:06 PDT
