Update News (Performance Tables with the latest version of SHIFTX2).

2016-09-13: SHIFTX2 version 1.10 is released. Enhanced the usability of SHIFTX2 * supporting to calculate multiple chains

2016-09-12: SHIFTX2 version 1.09E is released. Enhanced the usability of SHIFTX2 * Debugged minor errors - handling unexpected atom names

2016-07-26: SHIFTX2 version 1.09D is released. Enhanced the usability of SHIFTX2 * Debugged minor errors

2015-08-21: SHIFTX2 version 1.09A is released. Enhanced the usability of SHIFTX2 * Fixed for batch processing * Phosphorylated Residues can be calculated * NEF format is available in output format * Minor bug fixed

2014-07-11: SHIFTX2 version 1.08 is released. Enhanced the usability of SHIFTX2 * Chain ID can be any upper or lower case letters, any digits or underscore. * Users can specify path to store temporary files using the -t option. * An NMR + Multi-chain mode (-r option) is provided to process PDB files with multiple models and multiple chains. * Prediction accuracies are unchanged from the previous version (v-1.07).

2012-01-04: SHIFTX2 version 1.07 is released. Updated Prediction Models for the backbone and some side chain Atoms: * The performance of SHIFTX2 has been increased

2011-12-12: SHIFTX2 version 1.06 is released. Updated Prediction Models for the Side Chain Atoms: * The performance of SHIFTX2 has been increased

2011-11-24: SHIFTX2 version 1.05 is released. Updated Prediction Models: * The performance of SHIFTX2 has been increased Updated Combining Rules which is used for combining between the predictions of SHIFTX+ and SHIFTY+. Bug fixes: * Fixed the bug that does not print out for "CE, CE1, and CE2" atoms' values when BMRB and Tabular formats are selected in version 1.04.

2011-09-16: SHIFTX2 version 1.04 is released. Functional extensions: * SHIFTX2 now supports multi-chain prediction as a single chain (with the -u option) * SHIFTX2 now accepts input file of any name and extension. If the input file name is 'input.structure.file.pdb', the output file name is 'input.structure.file.pdb.cs'. Other minor modifications: * File name changes: - shiftx2_main.py is renamed to shiftx2.py and should be called as: $ python shiftx2.py -i 1UBQ [options] - SHIFTX+'s output file input.sxp is renamed to input.pdb.sxp. (assuming the input file is 'input.pdb') * Intermediate output files are now hidden by default. Use the '-e' or '--explicit' option to reveal such intermediate result files as SHIFTX+ (input.pdb.sxp) and SHIFTY+ output (input.pdb.shifty) files. * Wildcard in Batch mode (-b option). Batch mode has been updated to support wildcard of input file names. For example, $ python shiftx2.py -b 'A*.pdb' (matches all file starts with A and ends with .pdb) $ python shiftx2.py -b '/user/home/pdbdir/*' (matches all files in folder /user/home/pdbidr/) Please note the quotation mark is essential and cannot be omitted; SHIFTX2 basically takes a regular expression for matching input file names. * For CSV output format, column header is appended. Bug fixes: * Fixed the bug that causes Inconsistent residue numbers due to missing residues in input file. * Fixed the bug that causes reversing ordered insertion codes in input files. Only the first insertion case will be calculated. * Fixed a few bugs in the SHIFTY+ modules and updated reference database. * Fixed the bug for warning messages in the java compiling process. * Fixed the bug that causes errors in the selection of atoms with options 'ALL/BACKBONE/SIDECHAIN'

2011-05-06: SHIFTX2 version 1.03 is released. This version supports PDB files with NMR model ensembles.

2011-03-25: SHIFTX2 version 1.02 is released. The homolog database is updated in this version.

2011-01-21: SHIFTX2 version 1.01 is released. Side selection and batch processing mode is now available.

2010-08-24: SHIFTX2 is released and available as both web servers and standalone versions