OpenChemistry/avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
C++BSD-3-Clause
Issues
- 0
Add ghost atoms to elements list in the Draw Tool's pane or to Build menu
#1715 opened by matterhorn103 - 0
Allow user to set size of ghost atom
#1714 opened by matterhorn103 - 9
Avogadro does not open an .out file from ORCA
#1689 opened by Molybdenum4242 - 2
How to add a repeated molecule
#1693 opened by Timote79 - 4
workspace(background graphics) issues
#1690 opened by Subula-debug - 3
- 2
Generated CP2K input is invalid
#1701 opened by e-kwsm - 3
Black screen when changing window size
#1699 opened by RubiaLab - 3
- 5
- 3
- 2
request of clarification, string translation
#1677 opened by nbehrnd - 3
- 3
Orbitals Toolbar Does Not Display When Opening a Formatted Checkpoint File
#1669 opened by haydenmann3 - 5
Profiling and Benchmarking for Codebase Optimization
#1673 opened by perminder-17 - 0
Label the axes, especially to help with (e.g. red-green) colourblindness
#1667 opened by matterhorn103 - 0
Add a reset view option
#1666 opened by matterhorn103 - 0
- 0
No dummy atom appears when adding centre of mass
#1664 opened by matterhorn103 - 1
Add Stereo-chemistry Projections (Bond-Line, Fischer, Newman) as Viewing Options
#1663 opened by perminder-17 - 1
Need to cancel / halt geometry optimization
#1601 opened by ghutchis - 3
Centroid is not created at correct position
#1657 opened by matterhorn103 - 2
- 8
- 3
Avogadro does not open .xyz by clicking
#1649 opened by imitrichev - 12
Fetch PDB does not import molecules
#1616 opened by drew-parsons - 3
- 7
- 2
- 1
Add fuzz testing for file formats
#1644 opened by ghutchis - 7
Loading a specific PDB file crashes Avogadro
#1637 opened by fxcoudert - 0
Switch from MMTF to BinaryCIF
#1641 opened by ghutchis - 9
Write more unit tests & add code coverage tests
#1567 opened by ghutchis - 1
- 6
segfault opening molecule xyz file from command line
#1617 opened by drew-parsons - 2
[BUG]: When the layout is empty and you try to get angle properties App Crashes
#1564 opened by secretkontributer - 10
- 6
_fragments is referenced but not defined or used
#1615 opened by drew-parsons - 2
Plugin output to console doesn't use Unicode on Windows, Avogadro expects UTF-8
#1618 opened by matterhorn103 - 3
- 1
Support for higher order bonds
#1606 opened by matterhorn103 - 11
Linking Open Babel (GPLv2 only license) in a plugin
#1594 opened by cryos - 3
General settings / configuration menu or dialog
#1561 opened by ghutchis - 0
Cancelling surface calculation does nothing
#1582 opened by matterhorn103 - 0
Check integration of orbitals / electron / spin density
#1560 opened by ghutchis - 2
[Feat] : Adding a disclaimer whether you want to save file or not while pressing **New menu** option
#1554 opened by secretkontributer - 7
View Configuration pane is empty
#1529 opened by matterhorn103 - 0
Unit Cell "View by" panel
#1543 opened by ghutchis - 3
- 1