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.
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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
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