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[Jmol-developers] [ jmol-Bugs-1164361 ] Support for Spartan04 .smol vibration files
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From: SourceForge.net <no...@so...> - 2005-03-16 11:49:54
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Bugs item #1164361, was opened at 2005-03-16 10:27 Message generated for change (Comment added) made by ngreeves84 You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1164361&group_id=23629 Category: File Input/Output Group: None Status: Open Resolution: None Priority: 5 Submitted By: Nick Greeves (ngreeves84) Assigned to: Miguel (migueljmol) Summary: Support for Spartan04 .smol vibration files Initial Comment: To my mind http://jmol.sourceforge.net/demo/vibration/ is an excellent way of displaying all the various vibrations a molecule can undergo. But based on Bob Hansons recent comments on Gaussian file parsing I wonder if now is a good time to suggest that the vibration output from Spartan 04 should be considered for automatic parsing by Jmol. This would allow the use of Spartan 04 output directly in Jmol web pages. ---------------------------------------------------------------------- >Comment By: Nick Greeves (ngreeves84) Date: 2005-03-16 11:49 Message: Logged In: YES user_id=941641 Egon, That's great. If you need more examples please let me know. Nick ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2005-03-16 10:54 Message: Logged In: YES user_id=25678 The format is quite similar to that of Gaussian, so I don't think supporting it would be difficult. Miguel, I can do it this weekend. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1164361&group_id=23629 |