====== files ======

README.txt              this README document

runContactLib.sh        script to search similar protein structures from a ContactLib
buildContactLib.sh      script to build a ContactLib from PDB files

contactlib.build        executable to build a ContactLib
contactlib.search       executable to search a ContactLib
contactlib.score        executable to calculate similarity scores

scop40                  the pre-built ContactLib for SCOP40

====== manual ======

To search similar protein structures from a ContactLib, call

  ./bin/runContactLib.sh IN_PDB_FILE IN_CONTACTLIB_DIR OUT_SCORE_FILE

, where "IN_PDB_FILE" is the input PDB file containing the query protein
structure, "IN_CONTACTLIB_DIR" is the input ContactLib directory containing the
pre-built ContactLib, and "OUT_SCORE_FILE" is the output file containing the
similarities scores. The pre-built ContactLib for SCOP40 is provided.

To build your own ContactLib from PDB files, call

  ./bin/buildContactLib.sh IN_PDB_DIR OUT_CONTACTLIB_DIR

, where "IN_PDB_DIR" is the input directory containing all PDB files, and
"OUT_CONTACTLIB_DIR" is the output directory containing the ContactLib.

====== end ======