Sort through data and file types

AndrewRadev / protein-runway

Integrated Bioinformatics Project

1 stars 0 forks source link

Sort through data and file types #22

Closed emmarousseau closed 1 week ago

emmarousseau commented 3 weeks ago

[ ] Specify which files are compatible to run PCA

AndrewRadev commented 1 week ago

In Zenodo (https://zenodo.org/records/4650406), we can combine:

Trajectory file (trajectorysnapshots...): 1fuu_noPTM_10-20ns_100snap.trr
Topology file (topology_stripped): 1fuu_noPTM_complex.top

We can combine these into a PDB with the trajectory, this is an inefficient format, but it opens easily in pymol for visualization, and we take care to clean it up into just the protein residues.