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23 Open 7 Closed
23 Open 7 Closed
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Issues list

feature request: export version to header
#128 opened Nov 27, 2023 by e-kwsm
NaN coordinates crash coordgen
#124 opened Jul 17, 2023 by bjonnh-work
Is there any way to leverage 3D coordinates?
#122 opened Feb 8, 2023 by shubbey
How do we properly convey chirality & stereochemistry?
#120 opened Dec 31, 2022 by shubbey
10
Really slow performance with some macrocycles
#118 opened Nov 29, 2022 by bjonnh-work
8
Failed to build test_coordgen on static mode
#116 opened Jul 25, 2022 by jyhpsycho
1
1
Error in GLIBC
#115 opened May 20, 2022 by lh12565
Poor result for constrained coord generation in rapamycin derivative.
#110 opened Feb 8, 2022 by DavidACosgrove
1
Coordinates for molecule are all NaN
#109 opened Jan 6, 2022 by greglandrum
Segfault within coordgen for molecule bug
#106 opened Jan 4, 2022 by greglandrum
@greglandrum
rdCoordGen.AddCoords returning empty conformer for large system
#102 opened Jul 13, 2021 by jasondbiggs
2
Fix strategy for searching conformations in bridged ring systems
#99 opened Jun 10, 2021 by d-b-w
Distorted depiction
#97 opened May 28, 2021 by ptosco
9
Bad coordinates for some very ring-y structures
#83 opened Mar 16, 2021 by d-b-w
Undefined Reference in Libcoordgen
#78 opened Nov 3, 2020 by SiverJohn
Please improve the mechanism for looking for a templates.mae file
#64 opened May 10, 2020 by yurivict
7
Some problems identified while doing template-guided coordinate generation
#57 opened Mar 3, 2020 by greglandrum
2
Inconsistent installation of headers
#56 opened Feb 26, 2020 by d-b-w
Some coordgen templates don't match themselves
#52 opened Feb 14, 2020 by d-b-w
2
sketcherMinimizer::clear() doesn't completely reset the object
#51 opened Feb 11, 2020 by ricrogz
1
Norbornane not rendering with a template
#44 opened Jan 13, 2020 by greglandrum
10
Coordgen is slower than RDKit's native 2d coordinate generation
#39 opened Sep 26, 2019 by d-b-w
6
1.3.1 fails to configure with maeparser-1.2.1
#37 opened Sep 21, 2019 by yurivict
6
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