>Hi all, > >I can't remember this link being posted to this list, but it's worth checking >out! > > http://chemie.skku.ac.kr/~wkpark/demos/demo/sample.html > >Thanx Park!
Am I correct in inferring this originates from http://archive.ncsa.uiuc.edu/Edu/ChemViz/documentation/waltzdocs.html ? and a program called Waltz (part of ChemViz), which prepares orbitals in HDF format, when in turn are then converted to pmesh via isoviz. >From what I could infer, ChemViz is for registered people only, ie it might not be opensource Other observations: a) ChemViz appears not to have been "touched" since 1998, so it might not be under active development? b) the two pmesh files in the demo above totalled about 350K in size, although this reduced by about 10-fold upon compression. Can/does Jmol support gzip compression in a pmesh file? One would have to have a strategy for coping with larger molecules, and files which might reach 4-10 Mbytes. c) As part of a program to "embed" orbitals in glass (to put them into a display case) we ordered a program called Polytrans from http://www.okino.com/. This (commercial) program supports existing orbital formats, ie Quickdraw 3D, also known as 3dmf, very well, but not apparently HDF, or come to that pmesh. So the issue of how to interface QM programs (Gaussian, MOPAC etc) with eg pmesh still needs thinking about. -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); [EMAIL PROTECTED] (iChat) http://www.ch.ic.ac.uk/rzepa/ 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). ------------------------------------------------------- SF.Net email is sponsored by: Discover Easy Linux Migration Strategies from IBM. Find simple to follow Roadmaps, straightforward articles, informative Webcasts and more! Get everything you need to get up to speed, fast. http://ads.osdn.com/?ad_id=7477&alloc_id=16492&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
