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Pull requests list

Change check for rpc/xdr.h
#2684 opened Mar 22, 2024 by fredrikw Loading…
1
1
Make CorrectForPH respect perceived chains.
#2678 opened Mar 5, 2024 by fredrikw Loading…
1
Implemented code for atom-typing to support the Alexandria force field.
#2664 opened Jan 16, 2024 by dspoel Loading…
1
Upgrade hinformat.cpp InterX
#2661 opened Dec 24, 2023 by ileontyev Loading…
1
Remove redundant SSSR rings based on bond paths
#2648 opened Nov 23, 2023 by fredrikw Loading…
7
Add some features for Organometallic molecules
#2616 opened Aug 4, 2023 by Jesnm01 Loading…
5
Wiswesser
#2591 opened May 10, 2023 by Mblakey Loading…
1
AddAtom argument constness
#2583 opened Apr 8, 2023 by correaa Loading…
use simple cube format for molecules with single grid
#2580 opened Mar 29, 2023 by correaa Loading…
2
OpenBabel3Config.cmake to keep include information
#2574 opened Feb 23, 2023 by correaa Loading…
1
Fixed a bug that C.ar was converted to C3 when reading mol2 files
#2558 opened Jan 16, 2023 by gfzhou Loading…
1
ci: add CIFuzz Github Action
#2551 opened Nov 23, 2022 by DavidKorczynski Loading…
1
Add CodeQL workflow for GitHub code scanning
#2546 opened Nov 11, 2022 by lgtm-com bot Loading…
1
document silent deps: maeparser and CoordgenLibs
#2540 opened Sep 28, 2022 by ostueker Loading…
2
If requested, supply atom index as atom classes
#2539 opened Sep 23, 2022 by ghutchis Loading…
2
Orca: Make sure to update geometry coordinates during parsing
#2538 opened Sep 22, 2022 by ghutchis Loading…
Add missing include of <ctime> to fix build with glibc 2.36
#2533 opened Sep 6, 2022 by schnitzeltony Loading…
3
Allow GUI to compile with wxWidgets built with STL
#2527 opened Aug 15, 2022 by super7ramp Loading…
1
Arg fix
#2504 opened Jul 1, 2022 by dkoes Loading…
2
Make openbabel objects thread-safe
#2273 opened Aug 23, 2020 by jnooree Loading…
Reimplement OpenBabel::OBRandom as a wrapper of std::mt19937_64
#2241 opened May 25, 2020 by e-kwsm Loading…
8
Clean up tools/obabel.cpp
#2152 opened Apr 2, 2020 by e-kwsm Loading…
6
Tidy up
#2091 opened Nov 21, 2019 by e-kwsm Loading…
6
Comment out unused parameters
#2075 opened Nov 6, 2019 by e-kwsm Loading…
5
Remove smart matching for rigid fragment
#2049 opened Sep 30, 2019 by n-yoshikawa Loading…
2
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