Skip to content

Issues: schrodinger/coordgenlibs

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

23 Open 7 Closed
23 Open 7 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

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
ProTip! Add no:assignee to see everything that’s not assigned.