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Pull requests: prody/ProDy

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32 Open 1,281 Closed
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Pull requests list

add macos runner
#2048 opened Feb 14, 2025 by jamesmkrieger Loading…
1
Parallel insty actually fixed
#2047 opened Feb 14, 2025 by jamesmkrieger Loading…
support mmcif with no b fac and occ
#2046 opened Feb 14, 2025 by jamesmkrieger Loading…
1
better Insty disulphide handling
#2044 opened Feb 12, 2025 by jamesmkrieger Loading…
add ClustENM kwargs
#2043 opened Feb 12, 2025 by jamesmkrieger Loading…
add showAtomicBars
#2042 opened Feb 12, 2025 by jamesmkrieger Loading…
Replace np matrix
#2041 opened Feb 12, 2025 by jamesmkrieger Loading…
fix matplotlib version check for interaction False
#2040 opened Feb 12, 2025 by jamesmkrieger Loading…
1
add docs rst files for anmd and clustenm
#2035 opened Feb 6, 2025 by jamesmkrieger Loading…
1
package mmtf test files and hpb.so with prody
#2033 opened Feb 3, 2025 by jamesmkrieger Loading…
2
CaviTracer tool for detecting channels, tunnels, pores
#2018 opened Dec 18, 2024 by karolamik13 Loading…
2
add clustalo to buildMSA
#2011 opened Dec 3, 2024 by jamesmkrieger Loading…
3
add _parseMMCIFdoc to parseMMCIF.__doc__
#1986 opened Nov 4, 2024 by jamesmkrieger Loading…
permit atomic input to deformAtoms
#1983 opened Oct 31, 2024 by jamesmkrieger Loading…
1
1
check kdtree search radius as Number to include np float
#1969 opened Oct 8, 2024 by jamesmkrieger Loading…
3
more general top for convert xtc
#1954 opened Sep 17, 2024 by jamesmkrieger Loading…
extend watfinder to more water models and ions
#1953 opened Sep 13, 2024 by jamesmkrieger Loading…
1
add threeLetter SEQRES
#1950 opened Sep 10, 2024 by jamesmkrieger Loading…
1
6
ADP axes fix
#1947 opened Sep 1, 2024 by jamesmkrieger Loading…
LDA fixes
#1937 opened Aug 14, 2024 by jamesmkrieger Loading…
writeScipion option norm to normalise
#1936 opened Aug 14, 2024 by jamesmkrieger Loading…
add return eigvals to calcPrincAxes
#1923 opened Jul 28, 2024 by jamesmkrieger Loading…
add hierview numChains etc to general atomic
#1922 opened Jul 28, 2024 by jamesmkrieger • Draft
1
various fixes for handling ensembles with selections as ref
#1807 opened Dec 18, 2023 by jamesmkrieger • Draft
1
WIP: Motif search
#1549 opened May 13, 2022 by mkonstanty • Draft
13
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