TTClust 4.10.3

Include small bugs fix and code to remove/check warnings.

Small bug on the dendrogram graph fixed

The new version of matplotlib causes a bug with the dendrogram graph. It is now fixed

4.10.0

This version correct a bug introduced in 4.8.4 that caused an issue in the RMSD distance matrix.

4.9.0

• Numpy matrix file names are now hashed with MD5 if the name is too long
• The alignment is now included in the linkage matrix filename.

4.8.4

Bug fixed with distance matrix calculation

New RMSD Calculation

MDTraj's RMSD function realigns the protein which is incompatible with the -sa argument.

The RMSD is now calculated by a homemade implementation to combine with Numba for faster calculation (but still a little slower than MDTraj).

4.7.4

Two new arguments added:

• axis to force "Frame" label in the barplot axis (use -axis frame)
• limitmat to decrease the trajectory size limit to generate the distance matrix. It is now 100000000 but if the distance matrix is too long to generate, you can just decrease this limit with -limitmat 10000

TTClust 4.7.3

The version 4.7.3 contains several bugfixes.

TTClust 4.7.0

2 new functionalities:

• multiple trajectories reading (trajectories will be concatenated).
  To read multiple trajectories, just add them after the "-f" argument (like "-f traj1.xtc traj2.xtc" or "-f traj*.xtc)
• striding (read every *th frames) with the "-s" argument ("-s 10" to read every 10th frames)

TTClust 4.6.9

bug fixe in saving the representative frame