Download SHIFTX2 Standalone Program Latest Release Version: 1.07 (04 Jan. 2012) Download SHIFTX2 Version 1.07 for Linux (109 MB) Download SHIFTX2 Version 1.07 for MAC OS X (133 MB) - Updated ! After downloading the file, simply unzip (eg. tar -zvxf shiftx2-v104-linux.tgz) it and type 'make' to compile to fit your computing environment. When the compile processes are done, you may be able to test with a sample pdb (1UBQ.pdb) with a following command: python shiftx2.py -i 1UBQ.pdb If the program is installed successfully, you should have a predicted file (.cs) which name is "1UBQ.pdb.cs". In addition, you may follow the detail instruction in the README file to use SHIFTX2 program properly with several options. System Requirement: Operating System: LINUX, MAC OSX or UNIX Python 2.6 or later GCC/G++ Compiler (GCC 4.4.0 or later) Java SE Runtime Environment 1.6.0 or later We highly appreciate your feedback to further improve SHIFTX2. So please contact us without hesitation if you notice a problem or have any comments / suggestions.

Datasets
Training Dataset (197 Proteins, 30MB) Testing Dataset (61 Proteins, 8.6MB) The data sets include both original PDBs and PDBs(.pdbH) with hydrogens appended by REDUCE program. For the convenience, the re-referenced chemical shifts files were added 'PDB residue sequence number' on the assigned chemical shift lists as right side of image.

Virtual Machine Image A VMWare virtual machine image (Ubuntu 10.04 LTS) with SHIFTX2 installed is available upon request. Please contact us for details. You will need a VMWare Player on Linux or Windows, or VMWare Fushion on Mac OSX to run the above VM image.