On Sep 5, 2007, at 1:08 PM, Stefan Kuhn wrote: > On Wednesday 05 September 2007 18:24:20 Rajarshi Guha wrote: >> Hi, are there plans to allow 2D depiction with correct >> steroechemistry? As an example F/C=C\F and F/C=C/F both get >> depicted as trans > This is only true for formats without coordinates like smiles.
But even if I were to supply a structure with 3D coordinates in the correct stereochemistry, doesn't the SDG generate 2D coordinates from scratch? And hence would ignore the supplied 3D coordinates / stereochemistry? ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Q: What do you get when you cross a mosquito with a mountain climber? A: Nothing. You can't cross a vector with a scaler. ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
