Hi All,
I would like to superimpose a query chain (moving frame) from a rather large
PDB file (~50 chains) to a target frame specified by a chain in a reference PDB
file.
echo "FIT RESIDUE CA 2 TO 63 CHAIN $CHAIN" >> lsqkab.conf
echo "MATCH RESIDUE CA 2 TO 63 CHAIN A" >> lsqkab.conf
echo "OUTPUT XYZ" >> lsqkab.conf
echo "end" >> lsqkab.conf
lsqkab XYZINM ${f} XYZINF "1AHO.pdb" XYZout ${fileout} <lsqkab.conf
Rotates/translates all chains in the moving frame to the target frame and
outputs all of them up to 40,000 atom records. Would it be possible to output
only the chain of interest (preferred) OR to output all atom records?
Thanks, Doeke
Doeke R. Hekstra, Ph.D.
Postdoctoral Researcher, Ranganathan Lab
Green Center for Systems Biology
UT Southwestern Medical Center
6001 Forest Park Rd, Dallas, TX 75390
