ioNERDSS Change Log
===================

0.0.1 (06/27/2022)
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- First Release (setup dodecahedron face as COM model).

0.0.2 (06/27/2022)
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- Added all Platonic solid model.

0.0.3 (06/28/2022)
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- Moved Platonic function into seperate file.

0.0.4 (06/28/2022)
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- Seperated files are not supported in pypi, return all functions into __init__.py file.
- Optimized functions.

0.0.5 (06/28/2022)
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- Added printed message when finished writing files.

0.0.6 (06/28/2022)
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- Added data visualization functions.
- Added locate position by pdb and restart file function.

0.1.0 (06/28/2022)
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- First test version released with all functions of Platonic solid model, data visualization and locate position.

0.1.1 (06/28/2022)
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- Deleted wrong files in library.

0.1.2 (07/01/2022)
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- Changed input name as user guide declares.

0.1.3 (07/06/2022)
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- Added x and y labels in heatmaps.
- Added time input validation for heatmaps and 3D plot.

0.1.4 (07/06/2022)
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- Corrected input name arguments for 'TimeBins'.

0.1.5 (07/06/2022)
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- Corrected input name arguments for 'ShowNum'.

0.1.6 (07/06/2022)
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- Corrected input name arguments for locating position for certain size of complex by PDB/restart file.

0.1.7 (07/06/2022)
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- Corrected input name argumrnts for 'FileNameInp'.

0.2.0 (07/06/2022)
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- Adapted package with to tutorial.

0.2.1 (07/08.2022)
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- Optimized hist_to_df function.
- Added hist_to_csv function. 

0.2.2 (07/08/2022)
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- Optimized hist_to_csv function.

0.2.3 (07/08/2022)
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- Deleted os from requirements.

0.2.4 (07/08/2022)
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- Fixed bug for hist_to_csv function.

0.2.5 (07/08/2022)
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- Fixed bug for hist_to_csv function.
- Fixed typo for CHANGELOG.

0.2.6 (07/11/2022)
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- Added interface notification for csv writing.
- Formated code.

0.2.7 (07/13/2022)
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- Added multi_hist_to_csv and multi_hist_to df function.

0.2.8 (07/27/2022)
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- Added SaveFig input to all data visualization functions.

0.2.9 (07/27/2022)
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- Fixed bugs of not saving full plot for heatmaps.

0.3.0 (08/03/2022)
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- Added functions for analysing 'transition_matrix_time.dat' file.
- Added input data type requirements for all functions.

0.3.1 (08/04/2022)
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- Updated hist_to_csv function.

0.3.2 (08/17/2022)
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- Added histogram analysing multi-component system.

0.3.3 (08/19/2022)
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- Fixed bugs for multi-component histogram function.
- Added features for single-component functions to analyze multiple files (histogram and line plots).

0.3.4 (08/22/2022)
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- Added features for single-component functions to analyze multiple files (3D plot and heatmaps).
- Added 3D plot anf heatmap function for multi-component.

0.3.5 (08/22/2022)
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- Fixed bugs for single-component functions to analyze multiple files (3D plot and heatmaps).

0.3.6 (08/22/2022)
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- Fixed bugs for single-component functions to analyze multiple files (3D plot and heatmaps).

0.3.7 (08/30/2022)
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- Fixed bugs for all functions about naming issues.

0.3.8 (09/05/2022)
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- Added returns for all visualization functions.

0.3.9 (09/06/2022)
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- Added functions for max and mean complexes for multi-component system.

0.3.10 (09/06/2022)
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- Fixed bugs for newly added functions.

0.4.0 (09/14/2022)
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- Added reading real PDB file and generating input for NERDSS.

0.4.1 (09/14/2022)
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- Fixed bugs of not converting unit from A to nm.

0.4.2 (09/14/2022)
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- Corrected name of axis.

0.4.3 (09/15/2022)
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- Formated returns for all visualization functions.
- Added data extraction class.

0.4.4 (09/16/2022)
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- Added function 'single_locate_position_restart'.

0.4.5 (09/20/2022)
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- Added seperated functions for reading real PDB files.

0.4.6 (09/20/2022)
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- Corrected names of newly added functions.

0.4.7 (09/20/2022)
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- Fixed bugs for newly added functions.

0.4.8 (09/20/2022)
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- Corrected typos of function names.

0.4.9 (09/22/2022)
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- Added function 'real_PDB_show'.

0.5.0 (09/22/2022)
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- Added finction 'real_PDB_3D'.

0.5.1 (09/22/2022)
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- Changed names for newly updated functions.

0.5.2 (09/27/2022)
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- Added function 'real_PDB_separate_filter'.

0.5.3 (09/27/2022)
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- Added input variables to 'PDB_pdb_to_df' for future modifications.

0.5.4 (09/28/2022)
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- Added input 'ShowFig' for all visualization functions.

0.5.5 (10/04/2022)
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- Added function 'xyz_to_csv'.

0.5.6 (10/05/2022)
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- Added function 'xyz_to_pd' and 'traj_track'.
- Added more inputs for 'xyz_to_csv'.

0.5.7 (10/05/2022)
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- Fixed bugs in function 'traj_track'.

0.5.8 (10/14/2022)
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- Improved 'read_file' function.
- Added gag (sphere) regularization index analysis.