Hi: I have a bunch of pdb files and would like to superpose them to one of them based on secondary structure matching. I would like to get a script to do so (not a one-by-one job by hand).
I tried superpose but it seemed to have some problems with output option. Assuming C.pdb is the output pdb, and A.pdb and B.pdb are inputs. ============ superpose A.pdb B.pdb (this works, without output) superpose A.pdb B.pdb C.pdb (***** ERROR #15 READ:) Adding -s option get same errors (without output pdb it works). When running within ccp4i with output C.pdb, it does work. ============ I tried to generate an input script from ccp4i running. Unfortunately, running with the particular "superpose using S-S-M" option did not generate an input card (other options OK, what a bad luck). I appreciate a working script (ccp46.4.0) or a "debugged" source code for compilation. Thanks. Lijun Liu
