Skip to content

Issues: openforcefield/openff-pablo

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.

Sign up for GitHub

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

27 Open 11 Closed
27 Open 11 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Add test of protein with disulfide bonds specified by SSBOND
#50 opened Jan 29, 2025 by j-wags
Add test of loading a protein with a non-canonical amino acid identified by a user-provided ResidueDefinition
#49 opened Jan 29, 2025 by j-wags
Add tests for files with too many atoms/residues
#48 opened Jan 29, 2025 by Yoshanuikabundi
6 tasks
Add tests of PDB files from common software packages
#47 opened Jan 29, 2025 by Yoshanuikabundi
5 tasks
Add test of a PDB file with Missing TER entries...
#46 opened Jan 29, 2025 by Yoshanuikabundi
4 tasks
Add test of a PDB file with ICode entries
#45 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with AltLoc entries (JW: It's OK if this behavior is "raise an error")
#44 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with Discontiguous residue IDs
#43 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with Named according to alternate atom names
#42 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with (nice to have) oligosaccharides
#41 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with Nucleic acid termini
#40 opened Jan 29, 2025 by Yoshanuikabundi
6 tasks
Add test of a PDB file with DNA
#39 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with RNA
#38 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with Completely custom polymer not found in CCD (for loading with residue_database)
#37 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with A ligand found in the CCD
#35 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with With a cis peptide bond
#33 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with With D-peptides
#32 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with In strained poses
#31 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with A non-canonical amino acid not from the CCD (for loading with additional_substructures)
#30 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with A non-canonical amino acid from the CCD
#29 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with All charged side chain variants
#27 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with neutral N and C terminii
#26 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with Disulfide bonds (described by CONECT record)
#24 opened Jan 29, 2025 by Yoshanuikabundi
1 of 3 tasks
1
@Yoshanuikabundi
Use RDKit normalization method on all residue definitions
#18 opened Jan 28, 2025 by Yoshanuikabundi
Refactor matching code
#14 opened Jan 23, 2025 by Yoshanuikabundi
@Yoshanuikabundi
ProTip! no:milestone will show everything without a milestone.