Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Patch/wedgebondpriority #299

Merged
merged 3 commits into from Apr 19, 2017
Merged

Patch/wedgebondpriority #299

merged 3 commits into from Apr 19, 2017

Conversation

johnmay
Copy link
Member

@johnmay johnmay commented Apr 19, 2017

Tweaking wedge bond assignment following some discussions on twitter over last few months. Tetrahedral centres with 4 bonds will now have 2 wedges assigned (up+down). Centres with 3 bonds are all the same direction (e.g. all down or all up) and so do not get two assigned.

image
image
image

@johnmay
Copy link
Member Author

johnmay commented Apr 19, 2017

Hmm, that spiro one needs more attention, the presence of the ligand changes the ordering slightly, this is preferred:

image

@egonw egonw merged commit 385c145 into master Apr 19, 2017
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

2 participants