ChemDraw Beta 21.0 Portal
BRIEF DESCRIPTION:
Incorrect 3D Clean Up of non-planar Cp aromatic ring
or planar Cp aromatic ring attached to non-planar molecule
during 3D Clean Up
DISCUSSION:
This issue relates to my previously reported bugs: CDBETA21-I-36, CDBETA-21-I-41.
Assume, "Metallocenes" and "Cp Rings" templates were not updated and the structures there are in old(?) format, that 3D Clean Up doesn't handle well. However, when you generate ferrocene structure using "Name to Structure" conversion [observe, it's not Clar representation of aromatic Cp ring, dashed aromatic circle], select this ferrocene structure and perform 3D Clean Up, the end result is not correct either (Ferrocene - 01.mp4).
!!!
It means, 3D Clean Up doesn't convert correctly structure with non-planar representation of aromatic Cp ring.
If planar aromatic Cp ring is attached to 3D non-planar molecule (obtained from 3D Clean Up step) and the resulted structure is 3D Clean Up, Cp aromatic ring is still incorrectly processed. For instance:
Use dibenzo[ghi,mno]fluoranthene structure from "Aromatics template [column 6, row 5] (VD-BetaV21-0008.png, blue selection),
Do 3D Clean Up for it,
Manually rotate for 45o around Y-axe,
Attach two Cp aromatic rings at opposite sites (left and right)
Select the resulting structure and perform 3D Clean Up
Observe, that circles in Cp aromatic rings shrink and get uncentered (Non-planar with Cp aromatic Rings.mp4).
EXPECTED BEHAVIOR:
Structures with non-planar representation of aromatic Cp ring or 3D-non-planar structures with attached planar Cp aromatic ring should be converted correctly during 3D Clean Up.
****
FILES:
Ferrocene - 01.mp4
VD-BetaV21-0008.png
Non-planar with Cp aromatic Rings.mp4
Windows 10 Pro, version 21H1, 64-bit OS Build 19043.1348,
Yoga 2 Pro (i7-4500U, 8GB), 13.3" high resolution QHD+ screen (3,200×1,800)
Intel HD graphics family (driver version 20.19.15.4642, driver date: 28/03/2017)
Windows OS Display settings for "Scale and layout" are: 250% (Recommended)
ChemDraw Beta v21.0.999.2240
