To Whomever it may Concern,
I noticed an issue with the, “add hydrogens,” feature in the build menu. For a structure with sp^2 carbons, i.e. coronene, if you start with just carbon atoms and try to add the hydrogens some of the edge carbons are treated as sp^3 hybridized. Not sure if this is an issue general to all sp^2 carbon structures, but I’ve included a relevant structure for testing.
Best,
Devin
24
C -2.4600000000 -2.8405650000 0.0000000000
C -1.2300000000 -3.5507050000 0.0000000000
C -3.6900000000 -0.7101450000 0.0000000000
C -2.4600000000 -1.4202850000 0.0000000000
C -3.6900000000 0.7101450000 0.0000000000
C 0.0000000000 -2.8405650000 0.0000000000
C 1.2300000000 -3.5507050000 0.0000000000
C -1.2300000000 -0.7101450000 0.0000000000
C 0.0000000000 -1.4202850000 0.0000000000
C -2.4600000000 1.4202850000 0.0000000000
C -1.2300000000 0.7101450000 0.0000000000
C -2.4600000000 2.8405650000 0.0000000000
C 2.4600000000 -2.8405650000 0.0000000000
C 1.2300000000 -0.7101450000 0.0000000000
C 2.4600000000 -1.4202850000 0.0000000000
C 0.0000000000 1.4202850000 0.0000000000
C 1.2300000000 0.7101450000 0.0000000000
C -1.2300000000 3.5507050000 0.0000000000
C 0.0000000000 2.8405650000 0.0000000000
C 3.6900000000 -0.7101450000 0.0000000000
C 2.4600000000 1.4202850000 0.0000000000
C 3.6900000000 0.7101450000 0.0000000000
C 1.2300000000 3.5507050000 0.0000000000
C 2.4600000000 2.8405650000 0.0000000000