Darian Yang

icon indicating a website link darianyang.github.io icon indicating an email [email protected]

icon company University of Copenhagen icon location Copenhagen, Denmark icon location Computational Protein Biophysics | University of Copenhagen

Results 3 comments of Darian Yang

Addressing some issues with `save_cif`

Hey Jeremy, I thought I might run into you here - thanks for the help! I haven't checked extensively, but perhaps the test files don't have many bonds to write?...

Addressing some issues with `save_cif`

Hi @cabb99 , thanks a lot for looking into this and for the fix. I can confirm on my end that with your recent PR, the test case also works...

Addressing some issues with `save_cif`

LGTM. I also tested things locally using the ala dipeptide files with same results. The frame vs traj saving discrepancy is interesting... it looks like the only difference is just...