Skip to content

Issues: jensengroup/propka

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

24 Open 83 Closed
24 Open 83 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

model pka
#193 opened Oct 10, 2024 by thegorilla10
Unexpected pKa values and Coulombic interactions for amino acid residues
#190 opened Jun 12, 2024 by rankgab
Consider eliminating propka/version.py
#188 opened Feb 4, 2024 by speleo3
Resolve status of Parameters.hydrogen_bonds refactoring
#179 opened Dec 19, 2023 by speleo3
IndexError: list index out of range
#166 opened Sep 5, 2023 by locitran
2
Change primary branch name
#157 opened Feb 5, 2023 by sobolevnrm
@sobolevnrm
1
Lys backbone deltas don't appear to exist
#151 opened Nov 17, 2022 by steveb-123
pKa for Cys-Cys
#146 opened Aug 2, 2022 by ABrown-AbSci
unexpected ligand pka values bug
#143 opened Mar 22, 2022 by mbatgh
2
output Coulomb interactions
#134 opened Nov 1, 2021 by juranga004
3
Protonate class does not use predicted pKa information
#130 opened Aug 25, 2021 by furybubu
1
Support the CIF/mmCIF file format.
#123 opened Feb 18, 2021 by danny305
2
Document expected standard residues
#98 opened Nov 12, 2020 by IAlibay
@sobolevnrm
6
Deprecate --file option
#90 opened Jul 21, 2020 by speleo3
@sobolevnrm
Problems about the pKa prediction of two close ASP residues
#81 opened Jul 6, 2020 by qingwang666
1
Clean up parameter file discovery and handling I/O file parsing and writing
#67 opened Jun 19, 2020 by sobolevnrm
@sobolevnrm
2
Track PROPKA file creation enhancement I/O file parsing and writing
#60 opened Jun 1, 2020 by sobolevnrm
@sobolevnrm
2
Considering moving standard charges and bond lengths to a configuration file I/O file parsing and writing refactoring
#58 opened May 30, 2020 by sobolevnrm
@sobolevnrm
1
Upgrade input/output methods API enhancement I/O file parsing and writing
#57 opened May 30, 2020 by sobolevnrm
2 tasks
@sobolevnrm
4
Replace ad hoc list in groups.py refactoring
#54 opened May 30, 2020 by sobolevnrm
@sobolevnrm
1
Resolve status of BondMaker.SS_dist_squared refactoring
#52 opened May 30, 2020 by sobolevnrm
@sobolevnrm
Following stricter docstring formatting docs
#45 opened May 25, 2020 by sobolevnrm
@sobolevnrm
3
Test coverage of ligands testing
#38 opened May 22, 2020 by sobolevnrm
@sobolevnrm
Adding new residue to propka3.1 database question
#26 opened Mar 21, 2020 by dimozino
ProTip! Type g i on any issue or pull request to go back to the issue listing page.