Axel, thanks for getting back on this. Let me think about your suggestion and see what others have to comment as well.
Reflecting on "animation" in general a little more, I wonder if there's a Linux screen capture tool available somewhere analogous to KDE Ksnapshot for jpeg images, but which could capture motion in addition resulting in an mpeg file. Now that would be a handy and nifty gadget for lots of purposes! Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford (2005-2008) EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus w2agz at pacbell.net http://www.w2agz.com ? ? -----Original Message----- From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of Axel Kohlmeyer Sent: Sunday, October 12, 2008 5:18 PM To: Paul M. Grant Cc: 'PWSCF Forum' Subject: Re: [Pw_forum] On making a *.axsf file with XCrySDen On Sun, 12 Oct 2008, Paul M. Grant wrote: hi paul, not sure whether this is helpful, but i managed to do something similar to what you describe with VMD (granted VMD is still missing a lot of features for crystals etc. so it may not work as well for you). the problem is that usually volumetric data sets are not associated with the individual time step of an animation. the VMD script works because it is loading a sequence of cube files with a 1:1 correlation of coordinate and volumetric data and then makes the correlation by replacing the volumetric data sets through a callback hook to the animation loop frame number variable (standard tcl method). see: http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part5.html#c hap7_sect6 for more complicated scenarios (e.g. i have dome some nice movies of the fluctuations of spin densities of electron pairs in the cavities of an electride-like compound) one has to write more complicated tcl scripts. i would assume that there may be similar scripts possible with xcrysden, provided the script API is flexible enough... (never tried it). cheers, axel. PG> How does one make an animated axsf file using XCrySDen directly? For PG> example, suppose I want save in an axsf file the animation of an isosurface PG> of charge density moving through a given unit cell. I can save the PG> "situation" as an .xcrysden script file for play back, but on loading it PG> doesn't raise the Modify -> Animation Controls option. Only an .axsf file PG> apparently does this. Do I have to go through the script file inserting PG> "ANIMSTEPS" by hand? PG> PG> I note that the XCrySDen forum archives has had no entries since April.Is PG> PW_Forum now the appropriate target for XCrySDen issues? PG> PG> Paul M. Grant, PhD PG> Principal, W2AGZ Technologies PG> Visiting Scholar, Applied Physics, Stanford (2005-2008) PG> EPRI Science Fellow (Retired) PG> IBM Research Staff Member Emeritus PG> w2agz at pacbell.net PG> http://www.w2agz.com <http://www.w2agz.com/> PG> PG> PG> PG> PG> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot. _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
