Issues

• configure fails with CMake 4

  schrodinger/coordgenlibs#140 · Filter by author yurivict opened on Sep 28, 2026

• FindBoost module is removed in cmake 3.30

  schrodinger/coordgenlibs#133 · Filter by author e-kwsm opened on Sep 23, 2025

• feature request: export version to header

  schrodinger/coordgenlibs#128 · Filter by author e-kwsm opened on Nov 27, 2023

• NaN coordinates crash coordgen

  schrodinger/coordgenlibs#124 · Filter by author bjonnh-work opened on Jul 17, 2023

• Is there any way to leverage 3D coordinates?

  schrodinger/coordgenlibs#122 · Filter by author shubbey opened on Feb 8, 2023

• How do we properly convey chirality & stereochemistry?

  schrodinger/coordgenlibs#120 · Filter by author shubbey opened on Dec 31, 2022
  10

• Really slow performance with some macrocycles

  schrodinger/coordgenlibs#118 · Filter by author bjonnh-work opened on Nov 29, 2022
  8

• Failed to build test_coordgen on static mode

  schrodinger/coordgenlibs#116 · Filter by author jyhpsycho opened on Jul 25, 2022
  1

• Poor result for constrained coord generation in rapamycin derivative.

  schrodinger/coordgenlibs#110 · Filter by author DavidACosgrove opened on Feb 8, 2022
  1

• Coordinates for molecule are all NaN

  schrodinger/coordgenlibs#109 · Filter by author greglandrum opened on Jan 6, 2022

• Segfault within coordgen for molecule

  bug
  schrodinger/coordgenlibs#106 · Filter by author greglandrum opened on Jan 4, 2022
  

• rdCoordGen.AddCoords returning empty conformer for large system

  schrodinger/coordgenlibs#102 · Filter by author jasondbiggs opened on Jul 13, 2021
  2

• Fix strategy for searching conformations in bridged ring systems

  schrodinger/coordgenlibs#99 · Filter by author d-b-w opened on Jun 10, 2021

• Distorted depiction

  schrodinger/coordgenlibs#97 · Filter by author ptosco opened on May 28, 2021
  9

• Bad coordinates for some very ring-y structures

  schrodinger/coordgenlibs#83 · Filter by author d-b-w opened on Mar 16, 2021
  1

• Undefined Reference in Libcoordgen

  schrodinger/coordgenlibs#78 · Filter by author SiverJohn opened on Nov 3, 2020

• Please improve the mechanism for looking for a templates.mae file

  schrodinger/coordgenlibs#64 · Filter by author yurivict opened on May 10, 2020
  7

• Some problems identified while doing template-guided coordinate generation

  schrodinger/coordgenlibs#57 · Filter by author greglandrum opened on Mar 3, 2020
  2

• Inconsistent installation of headers

  schrodinger/coordgenlibs#56 · Filter by author d-b-w opened on Feb 26, 2020

• Some coordgen templates don't match themselves

  schrodinger/coordgenlibs#52 · Filter by author d-b-w opened on Feb 14, 2020
  2

• sketcherMinimizer::clear() doesn't completely reset the object

  schrodinger/coordgenlibs#51 · Filter by author ricrogz opened on Feb 11, 2020
  1

• Norbornane not rendering with a template

  schrodinger/coordgenlibs#44 · Filter by author greglandrum opened on Jan 13, 2020
  10

• Coordgen is slower than RDKit's native 2d coordinate generation

  schrodinger/coordgenlibs#39 · Filter by author d-b-w opened on Sep 26, 2019
  6

• 1.3.1 fails to configure with maeparser-1.2.1

  schrodinger/coordgenlibs#37 · Filter by author yurivict opened on Sep 21, 2019
  6