Clustering with only .pdb file (without .xtc file)

tubiana / TTClust

clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)

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Clustering with only .pdb file (without .xtc file) #26

Closed JeanMi2021 closed 2 years ago

JeanMi2021 commented 3 years ago

My simulation is done by openMM and hasn't generated the .xtc file. Only trajectory.pdb file is included. In this case, can I use this package for clustering? Thanks for your answer in advance.

tubiana commented 2 years ago

Hi!

I'm so sorry for this long delay, I think I completely miss the email notification. It should work but I haven't tested it lately. Just open the ticket again if you have any issues and I will fix it.

Best, Thibault.