Bugs item #1027412, was opened at 2004-09-13 14:14 Message generated for change (Settings changed) made by migueljmol You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1027412&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: None Group: None >Status: Closed >Resolution: Fixed Priority: 5 Submitted By: Miguel (migueljmol) Assigned to: Miguel (migueljmol) Summary: pmesh support wanted Initial Comment: Henry Rzepa wants pmesh support Henry wrote: > Excuse if an FAQ (I did not immediately find the answer on the sf site!) > but are there any plans to support pmesh surfaces? This is the first that I have ever heard of it. A Google search for 'chime pmesh' turns up *6* results ... looks like this is not very well known. > There is an excellent site at > http://www.otterbein.edu/home/fac/dnhjhns/symmetry/details.html > (there may be many others) which does good things with pmesh surfaces! very interesting The pmesh format looks very simple and would be easy to add. The biggest problem would be that Jmol currently has no infrastructure to support reading a *supplemental* file ... it only reads molecular model files. So I need to think about that. Q: Any votes/comments from other people regarding support for pmesh files? Q: Does anyone have any direct experience using them in Chime? > PS The above generates the pmesh surface using Excel. Does anyone have > other > experiences creating pmesh surfaces, using perhaps other 3D tools? How > for > example would one generalise the alignment of a pmesh surface with a > molecular > coordinate frame? > > Even more ambitious would be software that transforms (a subset?) of eg > 3dmf files to pmesh files. That would open up the world of molecular > orbitals > (3dmf files are generated by programs such as Chem3D, MacMolPlt etc). > The challenge is that such files can be big (and here I mean 2-10 Mbytes) > and optimising them for size is a challenge! If we add pmesh support, and if there is demand, then I would consider adding 3dmf support directly. Once I am reading one file it shouldn't be that difficult to read additional file types. Note that the Apple QuickDraw 3dmf file does not seem to be particularly popular with Apple. Most of the links I found to Apple's format specifiation are dead. This one still works: http://developer.apple.com/documentation/QuickTime/QD3D/qd3dmetafile.2.htm Miguel -- >If we add pmesh support, and if there is demand, then I would consider >adding 3dmf support directly. Once I am reading one file it shouldn't be >that difficult to read additional file types. > >Note that the Apple QuickDraw 3dmf file does not seem to be particularly >popular with Apple. Most of the links I found to Apple's format >specifiation are dead. This one still works: > >http://developer.apple.com/documentation/QuickTime/QD3D/qd3dmetafile.2.htm > > A sore point. Apple endorsed it enthusiastically but then never ported it properly to OS X and have now abandoned it. To my knowledge no other 3D metaformat has taken over its role (most seem proprietary, and need very expensive 32D authoring programs, such as Maya, to generate them). Its big advantage was that Mac gamers used it a lot, and a lot of optimised tools were available. The best is 3dmf optimiser, which could reduce the size of a 3dmf file by about 15 fold. This meant typical wavefunction surface/mesh files reducing from around 2-6 Mbytes to around 150 kbytes. Also, 3dmf was optimised to work with openGL, so it really performed even on weak machines The only other file format for surfaces is the Gaussian Cube format, which suffers from SIZE (ie it really is about 2-4 Mbytes in size). For examples of the use of 3dmf, go to http://www.ch.ic.ac.uk/photomo/ -- ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1027412&group_id=23629 ------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Do you grep through log files for problems? Stop! Download the new AJAX search engine that makes searching your log files as easy as surfing the web. DOWNLOAD SPLUNK! http://ads.osdn.com/?ad_id=7637&alloc_id=16865&op=click _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
