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

Clear current search query, filters, and sorts
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

Adding new residue to propka3.1 database question
#26 opened Mar 21, 2020 by dimozino updated Jun 18, 2020
Problems about the pKa prediction of two close ASP residues
#81 opened Jul 6, 2020 by qingwang666 updated Jul 12, 2020
1
Clean up parameter file discovery and handling I/O file parsing and writing
#67 opened Jun 19, 2020 by sobolevnrm updated Aug 30, 2020
@sobolevnrm
2
Track PROPKA file creation enhancement I/O file parsing and writing
#60 opened Jun 1, 2020 by sobolevnrm updated Aug 30, 2020
@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 updated Aug 30, 2020
@sobolevnrm
1
Following stricter docstring formatting docs
#45 opened May 25, 2020 by sobolevnrm updated Aug 30, 2020
@sobolevnrm
3
Upgrade input/output methods API enhancement I/O file parsing and writing
#57 opened May 30, 2020 by sobolevnrm updated Aug 30, 2020
2 tasks
@sobolevnrm
4
Replace ad hoc list in groups.py refactoring
#54 opened May 30, 2020 by sobolevnrm updated Aug 30, 2020
@sobolevnrm
1
Resolve status of BondMaker.SS_dist_squared refactoring
#52 opened May 30, 2020 by sobolevnrm updated Aug 30, 2020
@sobolevnrm
Test coverage of ligands testing
#38 opened May 22, 2020 by sobolevnrm updated Aug 30, 2020
@sobolevnrm
Document expected standard residues
#98 opened Nov 12, 2020 by IAlibay updated Nov 28, 2020
@sobolevnrm
6
Deprecate --file option
#90 opened Jul 21, 2020 by speleo3 updated Nov 28, 2020
@sobolevnrm
output Coulomb interactions
#134 opened Nov 1, 2021 by juranga004 updated Nov 29, 2021
3
unexpected ligand pka values bug
#143 opened Mar 22, 2022 by mbatgh updated Mar 29, 2022
2
pKa for Cys-Cys
#146 opened Aug 2, 2022 by ABrown-AbSci updated Aug 2, 2022
Protonate class does not use predicted pKa information
#130 opened Aug 25, 2021 by furybubu updated Sep 2, 2022
1
Support the CIF/mmCIF file format.
#123 opened Feb 18, 2021 by danny305 updated Sep 12, 2022
2
Lys backbone deltas don't appear to exist
#151 opened Nov 17, 2022 by steveb-123 updated Nov 17, 2022
Change primary branch name
#157 opened Feb 5, 2023 by sobolevnrm updated Feb 5, 2023
@sobolevnrm
1
Resolve status of Parameters.hydrogen_bonds refactoring
#179 opened Dec 19, 2023 by speleo3 updated Dec 19, 2023
IndexError: list index out of range
#166 opened Sep 5, 2023 by locitran updated Dec 19, 2023
2
Consider eliminating propka/version.py
#188 opened Feb 4, 2024 by speleo3 updated Feb 4, 2024
Unexpected pKa values and Coulombic interactions for amino acid residues
#190 opened Jun 12, 2024 by rankgab updated Jun 12, 2024
model pka
#193 opened Oct 10, 2024 by thegorilla10 updated Oct 10, 2024
ProTip! Adding no:label will show everything without a label.