For a given PDB (with or without a trajectory) and a given segmentation ("chopping") that looks like 1-100,101-200_250-300,..., a script can parse this string and produce a .pml file with pymol commands that:
loads the PDB file
selects the residues into domains with select domain01, resi 101-200, followed by select domain01, (domain01 or (resi 250-300)) etc
highlights the domains in different colors
A user can then load the pymol file into pymol and get a 3d visualization that will be more useful than what we currently have in Blender and possibly even more useful in general.
We could put this and image output from correlation analysis (e.g. from #40) into a separate folder, for instance, renaming 03_output to 04_output and having a 03_visualization, or put visualization under 02_intermediate.
For a given PDB (with or without a trajectory) and a given segmentation ("chopping") that looks like
1-100,101-200_250-300,..., a script can parse this string and produce a.pmlfile with pymol commands that:select domain01, resi 101-200, followed byselect domain01, (domain01 or (resi 250-300))etcA user can then load the pymol file into pymol and get a 3d visualization that will be more useful than what we currently have in Blender and possibly even more useful in general.
We could put this and image output from correlation analysis (e.g. from #40) into a separate folder, for instance, renaming
03_outputto04_outputand having a03_visualization, or put visualization under02_intermediate.