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.

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

Jump to bottom

Refactor #153

Merged
merged 26 commits into from
Aug 1, 2024
Merged

Refactor #153

merged 26 commits into from
Aug 1, 2024

Conversation

mtessmer
Copy link
Collaborator

No description provided.

@mtessmer
Refactor backbone and aln properties
15736d4
@mtessmer
Remove MMM and MtsslWizard imitation from README
c67a90c
@mtessmer
Add some modfied residue abbreviations to NATAA codes
99eab28
@mtessmer
Update example02
8cb825b
@mtessmer
Fix error created when measuring volume available to residue when gri…
c8f7155 
…d is empty
@mtessmer
docstrings and type hints
aecc040
@mtessmer
docstrings and type hints
ba477e8
@mtessmer
Docstrings
1a8a75f
@mtessmer
docstrings
21144df
@mtessmer
Fix bug to allow molsys to accept a 2D coordinate array
fa9106e
@mtessmer
Force topology to use nearly sequential atoms for dihedrals when ther…
bb12449 
…e is not forward definition
@mtessmer
Start adding tools to create peptides with NCAAs
b64a905
@mtessmer
Start adding tests for new protein utils
169e52d
@mtessmer
Update tests
b3f88ba
@mtessmer
refactor MolSys for mutabale atom properties
4f171fe
@mtessmer
Add 'by_atom' attributes to Topology
eb91d8b
@mtessmer
Fix bugs guessing backbone atoms for smiles2residue, integrate with m…
43a507f 
…ake_peptide
@mtessmer
Add function to concaetnate MolSys objects
e970a6a
@mtessmer
Add random seed smiles2residue tests
de89819
@mtessmer
Remove clutter
56a7a3d
@mtessmer
Add function for adding caps to peptides. Add tests. Refactor make_pe…
20d90cb 
…ptideto allow for caps
@mtessmer
Add rdkit optional dependency. Update PR actions to install rdkit
bfdea41
@mtessmer
Update test to be more tolerent of OS differences
cbae4ec
@mtessmer
Add alignment to smiles2residue test
2f2fa15
@mtessmer
update make peptide test
81a778f
@mtessmer
Update docstrings and minor refactoring
e14990d
@mtessmer mtessmer merged commit 2e72e52 into main Aug 1, 2024
3 checks passed
@mtessmer mtessmer deleted the refactor branch August 1, 2024 15:12
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers
No reviews
Assignees
No one assigned
Labels
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
1 participant
@mtessmer