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Pull requests: prody/ProDy

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Pull requests list

spawn-safe and order-safe parallel insty and watfinder fixes
#2277 opened Sep 10, 2026 by jamesmkrieger Contributor Loading…
1
writePDB(box=...) for CRYST1 and parsePDB(hexadecimal=True) override
#2276 opened Sep 10, 2026 by jamesmkrieger Contributor Loading…
1
Fix CHARMM PSF topology handling: cross-term width, term order, and topology under selection
#2275 opened Sep 10, 2026 by jamesmkrieger Contributor Loading…
1
ANMD and ClustENM fixes and test fixes
#2269 opened Aug 12, 2026 by jamesmkrieger Contributor Loading…
1
Add calcSignatureCavities/calcSignatureChannels for ensemble signatur…
#2268 opened Aug 11, 2026 by stoneandbone Contributor Loading…
16
speed up getMasses by looking up each distinct element once
#2265 opened Aug 7, 2026 by steps-re Loading…
fix three bugs in dynamics/analysis.py (dropped hinges, IndexError, wrong collectivity norm)
#2262 opened Jul 30, 2026 by steps-re Loading…
8
CaviTracer - Optimization
#2241 opened Jun 26, 2026 by MatthewLicht Loading…
8
Jamesk add LRA app again with fixed tests
#2227 opened Feb 19, 2026 by jamesmkrieger Contributor Loading…
2
Working readthedocs
#2222 opened Feb 13, 2026 by sahags Collaborator Loading…
4
Add torch option for linalg for NMA and transform
#2208 opened Jan 22, 2026 by jamesmkrieger Contributor Loading…
1
Fix AttributeError in calcHydrophobic from nested select() call Issue fix
#2197 opened Dec 15, 2025 by Copilot AI • Draft
1
@AnthonyBogetti
Write mmcif header Issue fix
#2137 opened Jun 10, 2025 by jamesmkrieger Contributor Loading…
@AnthonyBogetti
7
Fix parseMMCIF and fetchPDB to get CIF files Issue fix
#2126 opened May 8, 2025 by jamesmkrieger Contributor Loading…
@AnthonyBogetti
4
various fixes for handling ensembles with selections as ref Future
#1807 opened Dec 18, 2023 by jamesmkrieger Contributor Loading…
@AnthonyBogetti
3
WIP: Motif search Future
#1549 opened May 13, 2022 by mkonstanty Loading…
@AnthonyBogetti
16
deprecation prep Future
#1399 opened Aug 1, 2021 by jamesmkrieger Contributor Loading…
@AnthonyBogetti
7
added trajectory wrap method Future
#1344 opened Mar 11, 2021 by jamesmkrieger Contributor Loading…
31
New Hybrid Modules Future
#1309 opened Feb 16, 2021 by jamesmkrieger Contributor • Draft
@AnthonyBogetti
6
charmm-gui interface Future
#1226 opened Dec 22, 2020 by jamesmkrieger Contributor • Draft
1
Chain alignment fixes Future
#1220 opened Dec 21, 2020 by jamesmkrieger Contributor Loading…
5
bug fix on color handling for showProjection Future
#1070 opened Jun 10, 2020 by jamesmkrieger Contributor Loading…
29
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