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Pull requests: prody/ProDy

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24 Open 1,301 Closed
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Pull requests list

get all min dist pairs
#2109 opened Apr 7, 2025 by jamesmkrieger Loading…
2
missing fix for selections bondOrders for saveEns
#2104 opened Mar 27, 2025 by jamesmkrieger Loading…
add nonstd nucleics
#2103 opened Mar 26, 2025 by jamesmkrieger Loading…
1
add kwarg strip_icodes to parsePDB parsePQR
#2101 opened Mar 19, 2025 by jamesmkrieger Loading…
add macos runner
#2048 opened Feb 14, 2025 by jamesmkrieger Loading…
20
Replace np matrix
#2041 opened Feb 12, 2025 by jamesmkrieger Loading…
1
package mmtf test files and hpb.so with prody
#2033 opened Feb 3, 2025 by jamesmkrieger Loading…
4
CaviTracer tool for detecting channels, tunnels, pores
#2018 opened Dec 18, 2024 by karolamik13 Loading…
14
add clustalo to buildMSA
#2011 opened Dec 3, 2024 by jamesmkrieger Loading…
3
permit atomic input to deformAtoms
#1983 opened Oct 31, 2024 by jamesmkrieger Loading…
1
3
check kdtree search radius as Number to include np float
#1969 opened Oct 8, 2024 by jamesmkrieger Loading…
4
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
writeScipion option norm to normalise
#1936 opened Aug 14, 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
deprecation prep
#1399 opened Aug 1, 2021 by jamesmkrieger • Draft
7
added trajectory wrap method Enhancement Improvement to an already-existing feature.
#1344 opened Mar 11, 2021 by jamesmkrieger Loading…
@AnthonyBogetti
9
New Hybrid Modules Enhancement Improvement to an already-existing feature.
#1309 opened Feb 16, 2021 by jamesmkrieger • Draft
@AnthonyBogetti
6
charmm-gui interface Enhancement Improvement to an already-existing feature.
#1226 opened Dec 22, 2020 by jamesmkrieger • Draft
1
Chain alignment fixes
#1220 opened Dec 21, 2020 by jamesmkrieger • Draft
1
bug fix on color handling for showProjection
#1070 opened Jun 10, 2020 by jamesmkrieger • Draft
28
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