On Tue, Mar 3, 2009 at 3:16 PM, Markus Hartenfeller <hartenfel...@bioinformatik.uni-frankfurt.de> wrote: > Christoph Steinbeck schrieb: > In principle, the existing 2D coordinates will not have any effect.
<snip> > If I am mistaken it would be great if someone could tell how to apply the > OverlapResolver correctly as I sometimes have the same problem using the > SDG. I can also recommend people to look at the template library, which is actually ridiculously small [0], but you can add your custom templates in your code, or contribute them as LGPL for the CDK... These templates are used for things which are difficult to layout with heuristic rules, such as cubane or adamantane... but we are aware that there are many other useful templates to reflect common layout or fragments. One major miss in the template library, is templates for larger (C12 and up) ring systems, which tend to be drawn is almost-rings now (actually polygons, but the angles between the edges becomes really close to 180 degrees, making them appear the full ring circle like)... These templates may also help you resolve problems in your current layout problems... Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------------ Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco, CA -OSBC tackles the biggest issue in open source: Open Sourcing the Enterprise -Strategies to boost innovation and cut costs with open source participation -Receive a $600 discount off the registration fee with the source code: SFAD http://p.sf.net/sfu/XcvMzF8H _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
