GUI Removed

The GUI is now removed. If you want to use the simple GUI, please install it with pip install ttclustGUI.
wxPython may cause issues on Mac & linux without X server.

TTClust 4.6.4

Two bugs fixed

• empty linear output for linear barplot
• MAC ONLY : custom "which" command to replace shutil.which (not
  implemented before Python 3.3).

TTClust 4.6.3

Bug fixed in logfile RMSD table.

TTclust 4.6.2

[OLD release, but same as new v4.6.2 which was published for zenodo DOI@

• TTclust GUI is now in 1.0
• Improvments in MAC os compatibility
• Adding time in barplot graph
• Adding transparency in barplot & distance matrix graphs.
• minor bugs fixed.

TTClust 4.6.2

[version for zenodo DOI]

• TTclust GUI is now in 1.0
• Improvments in MAC os compatibility
• Adding time in barplot graph
• Adding transparency in barplot & distance matrix graphs.
• minor bugs fixed.

Automatic clustering (BETA) and User Interface

New TTclust udpate! Automatic clustering and Graphical User Interface.

TTclust Version 4.5 :

A new automatic clustering method was implemented based on
kmeans clustering method and the Elbow method to find the
optimal number of clusters. Use with Caution : to my point of
view, it does not cluster enough. I will improve this automatic
methode laters. To use it, just specify auto to the -ng argument.

TTclust-GUI Version 0.9 :

A GUI was implemented thanks to the GOOEY package. more information on
README.md soon (with examples case).

New graph + RNA/DNA selection

• DNA and RNA selection keywords added!
  You can use now theses keywords : dna; rna; backbone_na; base; base_rna; base_dna. See README for precision.

• A new graph is created (distance matrix graph, based on the RMSD matrix)
  

V4.2.1

Improve DNA/RNA trajectory compatibility

Sometimes, with some trajectory (eg. traj with RNA/DNA) if you want to clusterize the DNA/RNA and align to the protein backbone, it fails because MDTRAJ didn't recognize DNA/RNA backbone.

Now the alignement is made before the extraction of the trajectory.If you don't want protein alignement, use "-sr none"

Version 4.2

README.md :

• Replace USAGE examples with examples file from example folder
• Replace examples graphics output.

ttclust.py:

• Now if you specify the -st argument, the subtrajectory will be saved.
• Argcomplete will be loaded only on linux (useless on MAC & Windows)
• Cleaning of ArgParse() function

V4.1.3

Version 4.1.3

All functionalities presented operational.