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Run fingerprint over multiple conformations of the same molecule
enhancement
New feature or request
#168
opened Nov 18, 2023 by
forcefield
Saving interaction JS to file
enhancement
New feature or request
visualization
Visualization
#163
opened Oct 11, 2023 by
richardjgowers
Investigate possible use of InteractionDrawer as an alternative to LigNetwork
visualization
Visualization
#142
opened Aug 8, 2023 by
cbouy
Account for resonance forms during substructure search
enhancement
New feature or request
#125
opened Apr 22, 2023 by
cbouy
Backbone standardization using RDKit could modify the nature of the functional groups
enhancement
New feature or request
#70
opened Jul 22, 2022 by
josevlibera2010
Standardization using RDKit does not converge for very long segment of proteins
#69
opened Jul 22, 2022 by
josevlibera2010
Details about cationic and anionic interactions
documentation
Improvements or additions to documentation
#24
opened Aug 11, 2021 by
soumyosen
ProTip!
Exclude everything labeled
bug
with -label:bug.