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Pull requests: prody/ProDy

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27 Open 1,256 Closed
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Pull requests list

more Insty energy things
#2000 opened Nov 22, 2024 by jamesmkrieger Loading…
1
SignInt & FTP fix
#1989 opened Nov 12, 2024 by karolamik13 Loading…
34
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
Add ANMD
#1981 opened Oct 29, 2024 by jamesmkrieger Loading…
3
extended AtomGroup with: bond orders, the ability to extend an atomgr…
#1978 opened Oct 23, 2024 by michelsanner Loading…
42
extended header parsing
#1977 opened Oct 23, 2024 by michelsanner Loading…
17
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…
Parallel insty
#1945 opened Aug 22, 2024 by jamesmkrieger Loading…
2
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
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…
@atbogetti
8
sampleModes docs fix
#1318 opened Feb 22, 2021 by jamesmkrieger • Draft
2
New Hybrid Modules Enhancement Improvement to an already-existing feature.
#1309 opened Feb 16, 2021 by jamesmkrieger • Draft
@atbogetti
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
ProTip! Exclude everything labeled bug with -label:bug.