Lighthouse has a new layout. Prefer the old one? Return to the old layout, and switch back any time from the link at the top of each page.

SMILES coordinate generation for 'Ring Test 1' has extra double bonds

#92

1) select 'Ring Test 1' in layout demo at kemia/layout/layout_demo.html
2) observe extra double bonds (marked in yellow below)

SMILES O5CCN(CC=3C=1C=CC=CC=1C(=C2C=CC=CC2=3)CN4CCOCC4)CC5

bad

Reported by paul (at wingu) · October 27th, 2010 @ 06:14 PM

State: resolved
Milestone: 0.2 Complete Basic features
Assigned to: Mark Rijnbeek Mark Rijnbeek

Activity

  1. Mark Rijnbeek
    Mark Rijnbeek
    • State changed from new to resolved
    • Assigned user set to Mark Rijnbeek

    Coincidentally fixed with git commit 3a7de98c7e3ee0c0510aaf3581359fa9804e88ea

    October 28th, 2010 @ 11:03 AM

  2. paul (at wingu)
    paul (at wingu)
    • Milestone changed from 0.3 Enhance features to 0.2 Complete Basic features
    • Milestone order changed from 24 to 0

    November 2nd, 2010 @ 07:15 PM

Please Sign in or create a free account to add a new ticket.

With your very own profile, you can contribute to projects, track your activity, watch tickets, receive and update tickets through your email and much more.