>Hi all, > >is Jmol still able to save the content? For example as CML or perhaps >MDL molfile or XYZ?
As it happens, Bob and I have been having a discussion about eg saving XYZ (with vibrational vectors). Bob's documentation does describe the process, although of course one has to use the signed applet to use the write command if doing so from a Web page. However Egon, are you asking whether eg the Jmol DOM content model which stores the coordinates has an internal output stylesheet that can perform the conversion to eg CML, ie eg Molfile in, CML out, in the manner of openBabel? Bob has also described his XMLised version of jvxl. I presume an XML version of the Rasmol script is a far greater undertaking? -- Professor Henry S Rzepa. +44 (020) 7594 5774 (Voice); http://www.ch.ic.ac.uk/rzepa/ & /rzepa/blog Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected reply not received, please phone/fax). ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
