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Issues list

Add test of a PDB file with Discontiguous residue IDs within a chain tests New tests
#43 opened Jan 29, 2025 by Yoshanuikabundi
1
@Yoshanuikabundi
Support PDBx + mmCIF feature New feature or request
#4 opened Jan 14, 2025 by Yoshanuikabundi
@Yoshanuikabundi
Refactor matching code feature New feature or request
#14 opened Jan 23, 2025 by Yoshanuikabundi
@Yoshanuikabundi
Use RDKit normalization method on all residue definitions feature New feature or request
#18 opened Jan 28, 2025 by Yoshanuikabundi
1
Add test of a PDB file with A non-canonical amino acid not from the CCD (for loading with additional_substructures) tests New tests
#30 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with With D-peptides tests New tests
#32 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with With a cis peptide bond tests New tests
#33 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) tests New tests
#37 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with RNA tests New tests
#38 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with DNA tests New tests
#39 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with Nucleic acid termini tests New tests
#40 opened Jan 29, 2025 by Yoshanuikabundi
6 tasks
Add test of a PDB file with (nice to have) oligosaccharides tests New tests
#41 opened Jan 29, 2025 by Yoshanuikabundi
Add PDB test suite tests New tests
#2 opened Jan 14, 2025 by Yoshanuikabundi
2 of 5 tasks
@j-wags @Yoshanuikabundi
3
Add test of a PDB file with Named according to alternate atom names tests New tests
#42 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") tests New tests
#44 opened Jan 29, 2025 by Yoshanuikabundi
Add test of a PDB file with ICode entries tests New tests
#45 opened Jan 29, 2025 by Yoshanuikabundi
1
Add tests of PDB files from common software packages tests New tests
#47 opened Jan 29, 2025 by Yoshanuikabundi
5 tasks
Add tests for files with too many atoms/residues tests New tests
#48 opened Jan 29, 2025 by Yoshanuikabundi
6 tasks
1
@Yoshanuikabundi
Add test of protein with disulfide bonds specified by SSBOND tests New tests
#50 opened Jan 29, 2025 by j-wags
Support resonance forms of residue definitions feature New feature or request needs design Needs some careful thinking
#62 opened Feb 12, 2025 by Yoshanuikabundi
1
Support original additional_substructures argument (requiring conectivity rather than atom names) feature New feature or request
#63 opened Feb 12, 2025 by Yoshanuikabundi
Attempt a connectivity-based match if a residue fails to match on atom names feature New feature or request
#66 opened Feb 18, 2025 by Yoshanuikabundi
1
Disambiguate multiple matches with connectivity and formal charge feature New feature or request
#67 opened Feb 18, 2025 by Yoshanuikabundi
Test against example polymers tests New tests
#68 opened Feb 18, 2025 by mattwthompson
Support 4-site water models feature New feature or request
#70 opened Feb 21, 2025 by mattwthompson
1
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