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

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