Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

binpos error in latest mdtraj #1

Open
jimboid opened this issue Feb 19, 2025 · 2 comments
Open

binpos error in latest mdtraj #1

jimboid opened this issue Feb 19, 2025 · 2 comments

Comments

@jimboid
Copy link
Member

jimboid commented Feb 19, 2025

Launching the first cell in the first notebook will show the error. But it looks like mdtraj no longer has a parser endpoint for a binpos formatted file. Not sure if this was intentional by MDTraj or accidental.

Reporting here in the first instance, since fixing this without making changes here relies on mdtraj devs to roll a fix. We may want to change any files using binpos if that is faster?

@CharlieLaughton
Copy link
Contributor

Yes - binpos is archaic, no-one should be using it any more. I will update to use the modern netCDF format (.nc).

@CharlieLaughton
Copy link
Contributor

OK - update pushed to master. Please check (nglviewer is flakey my end, hope less so yours...)

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants