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 12:08 Message: Logged In: YES user_id=941641 Egon, As requested, output for carbon dioxide (Raman), water, methane, and SF6. Again if you need more or different examples just let me know. Nick ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2005-03-16 11:52 Message: Logged In: YES user_id=25678 Nick, another four would be nice. Preferably from a bit exotic calculations, e.g. with raman (if possible), or with high symmetry, and water. To get a diverse set of test files. Egon. ---------------------------------------------------------------------- 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 ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_id=6595&alloc_id=14396&op=click _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
