CHANGELOG

version 0.23:
 users:
  * more options+docs for the ENM module (Raimondi)
  * more options+docs for the PSN modules (Felline)
  * ring detection module (Conti)
  * center of mass module (Conti)
  * chain construct added to overall molecule structure (Seeber)
  * selection includes chain; variable fields number (Seeber)
  * wordom compiling and installing shifted to cmake (Seeber)
  * pywordom compiling and installing shifted to setup.py (Seeber)
 debug:
  * many bugfixes throughout the code (Seeber, everybody)
version 0.22-rc2:
 debug:
  * cFEP would loose peaks with populated trajectories due to uncorrect sizing of variables
  * leader-like clustering gave shifted numbering for first time appearance of new cluster
  * QT-like clustering did not include starter frame in each cluster
  * within module would crash when --LEVEL used without --VERBOSE
  * distance module would sometimes crash on 32-bits arch
  * documentation did not mention --MEMSIZE flag in surface module
  * documentation cleanup
version 0.22:
 for users:
  * new Surface (+surf_coor, +surf_cluster) module (Felline)
  * ENM module now working and still in development (Raimondi)
  * PSN and PSN-path module now working (Felline, Seeber)
  * selection enhanced (within, add/del) (Felline)
  * manipulation enhanced (Seeber)
  * various debugs (Seeber, everybody)
 for developers:
  * moved function.c/.h to datahandler.c/.h
  * many subtle (and not-so-subtle) changes... more to come
version 0.21:
 for users:
  * new -imol, -itrj, -omol, -otrj _replace_ all previous mol/trj input methods (Seeber)
  * analysis directly from command line now possible (Seeber)
  * new secondary structure computation module (Seeber)
  * new kinetic analysis module (Muff)
  * new elastic network module (Raimondi) -> not yet present in documentation
  * new protein structure network module (Seeber) -> experimental, not in documentation
  * gromacs files compatibility (Friedman)
  * -checksele flag prints out selected atom numbers (Seeber)
  * -sele accepts a index file name (list of atom numbers) (Seeber)
  * -F accepts keywords all/range to select all (or ranges of) frames (Seeber)
 for developers:
  * analysis2.c split into multiple files: complex analysis modules have their own file
  * added _traj structure to account for different trj file types
  * modify accordingly lots of functions and function calls
  * bugfix rmsd module when fitting to a different selection than the one used for computing rmsd proper
  * ReadTRJ_Coor no more allocates for output coordinates: more consistent (didn't free)