Release 3.0.0 - #195

Merged

mestia merged 42 commits into

Oct 27, 2025

Commits on Jan 13, 2025

fixed handling of modified residues in protein ligands.
snbolz
committed
c2bb26f

Commits on Jan 14, 2025

Merge pull request #168 from snbolz/bug/keepmod
mestia
authored
fcf8da8

Commits on Jan 23, 2025

if the keepmod flag is used, keep modified residues as part of the receptor.
snbolz
committed
427704d
Merge pull request #169 from snbolz/bug/modres_bs
mestia
authored
ea15bc3
enables the detection of charged functional groups in modified residues.
snbolz
committed
0504276

Commits on Jan 24, 2025

Merge pull request #170 from snbolz/bug/modres_charged
mestia
authored
1876230

Commits on Mar 11, 2025

added handling of pdb files that have TER lines without continuing numbering to the structure preparation process
snbolz
committed
accf551

Commits on Apr 10, 2025

Updated Readme (#176)
PhiCMS
authored
93f7fbc

Commits on May 8, 2025

dev: adding flag pdb_file_was_corrected
CtrlShanya
committed
54188c9
fix: condition for as_string in read_pdb
CtrlShanya
committed
1612786

Commits on May 13, 2025

fix: pdb complex as string source file for visualizer data
CtrlShanya
committed
7797f0f

Commits on May 15, 2025

fix: broken test suite for using PDBComplex
CtrlShanya
committed
d174c65

Commits on May 20, 2025

Commits on Jun 19, 2025

Fix for #186, #185

PhiCMS
and
Philipp Schake
authored
0f39424

Commits on Jun 20, 2025

fix: missing attribute (#181)
CtrlShanya
authored
e3e7121

Commits on Oct 13, 2025

new regions feature to detect interactions between protein regions (e.g., domains)
snbolz
committed
d50e3ed

Commits on Oct 15, 2025

improved --regions argument parsing for tuples with only one entry.
snbolz
committed
062d7c5

Commits on Oct 16, 2025

Add pyproject.toml, courtesy Nikitas Rontsis, nrontsis@gmail.com
Alex Mestiashvili
committed
d18a355
Drop requirements.txt
Alex Mestiashvili
committed
9bdf35d
Update pyproject.toml, adjust build system to use setup.py
Alex Mestiashvili
committed
871ef56
hardocde verion, since ./plip is not available while building module
Alex Mestiashvili
committed
6d5f718
Update Dockerfile, drop python3-distutils Debian package
Alex Mestiashvili
committed
86cccd5
Merge branch 'development' into feature/domains
mestia
authored
67d5d5d
citation information update to latest PLIP publication.
snbolz
committed
864551f
Merge pull request #188 from snbolz/feature/domains
mestia
authored
9132b5c
Merge branch 'development' into bug/ter_lines
mestia
authored
df921f8
Merge pull request #172 from snbolz/bug/ter_lines
mestia
authored
6744681
Merge branch 'development' into chore/update-citation
mestia
authored
0f0f651
Merge pull request #191 from snbolz/chore/update-citation
mestia
authored
7573f04

Commits on Oct 23, 2025

Commits on Oct 24, 2025

Merge pull request #193 from mestia/module_packaging
mestia
authored
35a06d9

Commits on Oct 27, 2025

update CHANGES.txt
snbolz
committed
ee5a096
Merge pull request #194 from snbolz/chore/update-changelog
mestia
authored
b49cc44
Version 3.0.0
Alex Mestiashvili
committed
39f0484
Version 3.0.0
Alex Mestiashvili
committed
017a4e3
Merge branch 'master' into development
Alex Mestiashvili
committed
3327e8a