Bugs item #989312, was opened at 2004-07-12 12:18 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=989312&group_id=23629
Category: None Group: None Status: Open Resolution: None Priority: 5 Submitted By: Miguel (migueljmol) Assigned to: Nobody/Anonymous (nobody) Summary: 2D fisher projections
Initial Comment: PMR points out that it would be useful to support 2D fisher projections. This would allow us to show molecules in both 2D and 3D formats. Quality of 2D rendering is very important. MarvinSketch has a good listing of standard formatting styles for fisher projections (explicit carbons, explicit hydrogens, only hydrogens connected to non-carbons, etc)
I think you mean "2D structural diagrams". [Fischer (sic) projections are a (hopefully obsolescent) way of representing certain subsets of chemistry such as sugars and amino acids]. Note that the preferred conventions are being developed at:
http://www.angelfire.com/sc3/iupacstructures/
which are the result of considerable recent discussion moderated by Jonathan Brecher of CambridgeSoft.
The only rotation would be around the z axis. This should probably support only the same mouse gesture as the 3D world.
I assume that zoom & translate should work the same.
CML will support 5D (2D + 3D) and 8D (2D + 3D + fractional) coordinates. It will be important to support a smooth association between the 2D and the 3D coordinates. It should be possible to construct applications where hiliting in one world also hilites in the other.
Just to say publicly we very much appreciated Miguel visiting us last week - this was one of several areas that seem worth pursuing.
Best
P.
Peter Murray-Rust Unilever Centre for Molecular Informatics Chemistry Department, Cambridge University Lensfield Road, CAMBRIDGE, CB2 1EW, UK Tel: +44-1223-763069
-------------------------------------------------------
This SF.Net email sponsored by Black Hat Briefings & Training.
Attend Black Hat Briefings & Training, Las Vegas July 24-29 - digital self defense, top technical experts, no vendor pitches, unmatched networking opportunities. Visit www.blackhat.com
_______________________________________________
Jmol-developers mailing list
[EMAIL PROTECTED]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
