PCA-app, Color ensemble by RMSF/Variability

[Lars Skjærven]

In pymol session file the structures are not colored by variability.

[Barry Grant]

Do we, or should we, write variability to B-factor column for coloring in external apps like pymol.

[Lars Skjærven]

I don't think we do, but we should I guess.

[Lars Skjærven]

RMSF is included in the b-factor column when downloading the pymol session file (FIT tab). This is however not included when downloading the raw PDB files. In the latter case we use function pdbfit(). We can alternatively make an iterator reading and writing the PDB files with edited b-factor column.

[Barry Grant]

Lets keep the PDB files as is in terms of B-factor. Don't want to confuse people later. This is less of an issue for the pymol session

[Lars Skjærven]

just pushed a suggestion for this. see commit

we can easly comment this out. alternatively add a checkbox for this.. ?

[Lars Skjærven]

are you sure? Isn't this a nice feature so we can visualize this stuff in other programs than pymol?

[Barry Grant]

Sure is - I did not know you had already done it when I commented above ;-)