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

Running with --multiligs_sdf option only generate pose for the first molecule in the sdf file #5

Open
okbckim opened this issue Nov 20, 2024 · 2 comments

Comments

@okbckim
Copy link

okbckim commented Nov 20, 2024

Hi @biocheming
watvina writes out OUTDIR/$BASE_NAME_#_out.sdf. I expect each molecule in the input sdf gets its corresponding output sdf. But all output sdf files are result of the first molecule in the input sdf. Is this the expected behavior?
Thank you!

@biocheming
Copy link
Owner

Thanks a lot for the bug report. it is fixed.

@okbckim
Copy link
Author

okbckim commented Nov 26, 2024

Thank you for the quick fix!

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