Bugs item #957304, was opened at 2004-05-20 11:55 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=957304&group_id=23629
Category: File Input/Output Group: None Status: Open Resolution: None Priority: 5 Submitted By: Miguel (michaelthoward) Assigned to: Miguel (michaelthoward) Summary: 2d cml files Initial Comment: Need to do something about 2D CML files: ---------------------------- Original Message ---------------------------- Subject: Re: [Cdk-user] Xindice, CML and Jmol problems From: "Miguel" <[EMAIL PROTECTED]> Date: Thu, May 20, 2004 11:53 To: "Ola Spjuth" <[EMAIL PROTECTED]> Cc: [EMAIL PROTECTED] -------------------------------------------------------------------------- > 5) When trying to view my CMLexported 2D-molecules in Jmol (tried latest 10beta9) I only get one big carbon. Manual changes in the .cml-file (changing x2 and y2 values on the atoms) doesn't help. If I add a z2 parameter and set the values different for the atoms I get a molecule (no bonds) that I at least can rotate in space. Any ideas why a change in the x2 and y2 parameters does not change the Jmol appearance? Is this because Jmol only supports cml up to v 1.0.1 and CDK outputs in cml v 2? Or am I simply missing a key point here? If I export in .mol format everything looks nice in Jmol so it must be a cml-problem. I can post the cml files if necessary. Jmol does not support 2D files. We probably should detect 2D files and put up an error message. Sorry for the trouble. Miguel ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=957304&group_id=23629 ------------------------------------------------------- This SF.Net email is sponsored by: Oracle 10g Get certified on the hottest thing ever to hit the market... Oracle 10g. Take an Oracle 10g class now, and we'll give you the exam FREE. http://ads.osdn.com/?ad_id=3149&alloc_id=8166&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
