at 3.06p EDT on 2003 December 09 Tuesday Miguel Howard said: > > in any case, what file formats does Jmol plan to support? > Tim, > > The following is a collection of random statements about the current > status of Jmol/CDK file support and integration: > [...] > > We need to get these issues worked out, but recently I have been focusing > on other functionality within Jmol. >
hi Miguel, thanks for the summary. I agree there are other, more pressing issues for Jmol at the moment. regarding hydrogen bonding, I think initial hbonding could be implemented based on a Rasmolian style algorithm - limited to protein backbone and nucleic acid bases. a more useful hbonding protocol would involve either: 1. a more useful file format, like mmCIF or CML, that includes valence and occupancy data, plus a plug-in to calculate hydrogen positions. 2. calculating all of the data from (1) within Jmol itself. I think (1) is better. ;-) regards, :tim -- timothy driscoll molvisions - molecular graphics & visualization <http://www.molvisions.com/> usa:north carolina:wake forest ------------------------------------------------------- This SF.net email is sponsored by: IBM Linux Tutorials. Become an expert in LINUX or just sharpen your skills. Sign up for IBM's Free Linux Tutorials. Learn everything from the bash shell to sys admin. Click now! http://ads.osdn.com/?ad_id=1278&alloc_id=3371&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
