Feature Requests item #2916422, was opened at 2009-12-17 12:45 Message generated for change (Comment added) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2916422&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: New IO Format Group: None Status: Open Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Nobody/Anonymous (nobody) Summary: load & display crystallographic electron density maps Initial Comment: Adding the ability for Jmol to display crystallographic electron density maps would fill in a large missing piece of functionality for crystallographers & for the use of Jmol to display crystallographic results. An example can be viewed using the "Electron Density Server" at http://eds.bmc.uu.se/eds/ where AstexViewer is used. Locations like Proteopedia are currently unable to display the experimentally determined electron density maps in their Jmol apps & this would be greatly valued -- especially with all the hubbub lately about possibly falsified structures in the PDB. Adding in the ability to display this information would greatly enhance Jmol's utility at the PDB and Proteopedia (as well as more general sites). This ideal would be to calculate and display a map from "structure factors", which would require the calculation of an FFT - Can Jmol do that? If not, then a map would have to be pre-computed and then loaded -- these formats are easily provided & I'm happy to provide references to the most commonly used formats (CNS & CCP4). My contact info: Tom Stout [email protected] ---------------------------------------------------------------------- >Comment By: Bob Hanson (hansonr) Date: 2009-12-18 11:51 Message: This ideal would be to calculate and display a map from "structure factors", which would require the calculation of an FFT - Can Jmol do that? No. Jmol can't do that. Do provide a few formats so we can take a look. Are these basically of the nature of surfaces or structures? (would we use the ISOSURFACE command or the LOAD command?) ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2916422&group_id=23629 ------------------------------------------------------------------------------ This SF.Net email is sponsored by the Verizon Developer Community Take advantage of Verizon's best-in-class app development support A streamlined, 14 day to market process makes app distribution fast and easy Join now and get one step closer to millions of Verizon customers http://p.sf.net/sfu/verizon-dev2dev _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
