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[Jmol-developers] [ jmol-Feature Requests-2916422 ] load & display crystallographic electron density maps
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From: SourceForge.net <no...@so...> - 2009-12-17 18:45:00
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Feature Requests item #2916422, was opened at 2009-12-17 18:45 Message generated for change (Tracker Item Submitted) made by nobody 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 tho...@gm... ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=2916422&group_id=23629 |