============ Quick start: ============ The following command will predict side-chain conformations built around a protein backbone: Scwrl4 -i abcd_IN.pdb -o abcd_OUT.pdb This command will read the backbone coordinates from abcd_IN.pdb and write the predicted side-chain coordinates into the file abcd_OUT.pdb. A test input file called abcd_IN.pdb resides in the SCWRL4 directory. You are free to specify relative or absolute paths to the input and output files. If file locations include spaces, you should place the filenames in double quotes. For more usage details please refer to Readme.txt file in SCWRL4 directory or just type Scwrl4.exe without input arguments. Georgii Krivov, Maxim Shapovalov and Roland Dunbrack Fox Chase Cancer Center 333 Cottman Ave Philadelphia PA 19111 http://dunbrack.fccc.edu/scwrl4