Yakov Pechersky

PresetProvider CommonParams for carbonColor should accept uniform+explicit color

1

https://github.com/molstar/molstar/blob/a619ae668706927c836d389e6f706be6141a08e4/src/mol-plugin-state/builder/structure/representation-preset.ts#L47 This is for instances where we want to override the carbon color with our own ColorList cycle default. Relatedly, where does one control what colors a structure chooses for...

SetRemoveSp3Stereo(False) does not keep isotope (deuterium) induced stereochemistry

4

**Describe the bug** Canonicalizing a molecule with implicit-ized isotopic Hs removes the stereo that those deuteriums might induce. The implicitization of these Hs is necessary to overcome the issue described...

#### Reference Issue Fixes #7070 #### What does this implement/fix? Lower the volume tolerance during chirality calculation to get chirality from molecules drawn at ChemDraw scales. As a side effect,...

Atropisomeric stereo is removed during canonicalization when aryl ketone is present

2

**Describe the bug** When we canonicalize atropisomers, some atropisomers lose the bond stereo, while others do not. Most do not lose it. We've identified some minimal examples where they do...

feat(MetricSpace/Ultra): IsUltrametricDist and basic facts on open/closed sets in such spaces

1

TODO in future PRs - add "all triangles are isosceles" in such normed spaces - totally disconnected space - give instances of this to Z_p, Q_p, etc --- [![Open in...