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23 Open 83 Closed
23 Open 83 Closed
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Issues list

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 Loci-Tran
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
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