On Wednesday 31 January 2007, Bob Hanson wrote: > When we met in Cologne last August, Egon and I agreed that Jmol -- at > least in our hands -- won't be in the business of doing quantum chem or > molecular mechanics calculations. Of course, anyone who wants can > implement whatever they can with Jmol, but we are more interested, as > Angel describes, in Jmol being a full-service viewer.
The idea behind this is that Jmol, the rendering component and the scripting engine, are already complex enough to keep the programmers (read:Bob) busy... Delving into other chemoinformatics areas is not core bussiness of Jmol... That does not mean that such a thing would not be useful, but there are other open source tools that can add hydrogens. These can conveniently integrated into a common workbench tool, such as Bioclipse (bioclipse.net), which already has the components together... The aim of Jmol is to visualize things; there are so many chemoinformatics algorithms nice to be able to run, but one has to draw the line somewhere. Miguel decided to put the line just after visualization and scripting, which Bob and I, indeed, decided to uphold. BTW, there is a load of new open source visualisation tools reaching the desktop, many of which are using accelerated rendering (e.g. the KDE based Kalzium, which can be compiled for win-etc too). Therefore, I would even suggest to focus Jmol development in the area where it is unique: webpages. In such function, it really is visualisation, and I think the webmaster/author-of-the-webpage is quite capable of adding those hydrogens before putting the file online. My 2 cents... Egon -- [EMAIL PROTECTED] Cologne University Bioinformatics Center (CUBIC) Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6 ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier. Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
