Alexander Rose
Alexander Rose
Do you use TypeScript? There should be type issues flagged when you see such an error.
From http://swift.cmbi.ru.nl/gv/dssp/index.html > In 2012 the determination of π-helices (I prefer to call them α-bulges) has been implemented in DSSP strictly following the original description by Kabsch and Sander, but...
> DSSP 2.0 better represents that broken helix as three -- alpha-pi-alpha. I see, that makes perfect sense. Thanks!
I think we should add it as we have a names for entities, chains, atoms. Come to think of it, model names would be good too (and might be part...
reopening for further discussion as it has come up multiple times
We currently rely on mmcif files and the chemical component dictionary to get bond information. We felt that the metal bond given in the archive are currently not good enough,...
The Chimera team also expressed interest to have those bonds.
The question boils down to whether we absolutely stick to clean and consistent data for whole-archive analyses or allow some data (like "metal bonds") that is only good for a...
Should we support the 2d endpoint? Is there a way to decide what is available? Anyone want to implement it?
Nice, will look at it later. > Also a lammps trajectory can have different number of atoms between frame, not sure its feasible, and I don't have example of files...