-
Notifications
You must be signed in to change notification settings - Fork 6
Issues: xchem/fragalysis-api
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
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
Allow for multiple conformations for those particularly tricky systems.
#102
opened Apr 11, 2022 by
TJGorrie
Expand crystal symmetry around a ligand and include that in the alignment
#101
opened Apr 11, 2022 by
TJGorrie
Create functional spec that does entire step in memory instead of using various file steps
enhancement
New feature or request
#92
opened Aug 19, 2021 by
TJGorrie
Change the mol conversion in non-rrf mode to add chain names to ligands.
enhancement
New feature or request
#88
opened Jul 20, 2021 by
TJGorrie
Figure out why certain pdb files do not align
bug
Something isn't working
#87
opened Jul 20, 2021 by
TJGorrie
Wrap target upload to allow curl/CLI upload
enhancement
New feature or request
#84
opened Jun 23, 2021 by
reskyner
Run xcimporter as a python function instead of calling script in pipelines
enhancement
New feature or request
#83
opened Jun 23, 2021 by
reskyner
Warn user when structure contains really small chain
enhancement
New feature or request
#82
opened Jun 23, 2021 by
reskyner
Optional argument to reference Fragalysis-api endpoints and add input to set?
enhancement
New feature or request
#81
opened Jun 23, 2021 by
TJGorrie
ProTip!
Find all open issues with in progress development work with linked:pr.