Hi Miguel, Here is my contribution on multiple structure files and animations, in an attempt to clarify, but with the risk to confuse matters. Chime supports multiple xyz-files (m-xyz) for animations. One can display a particular frame number, and Chime returns in AnimFrameCallback the number of the frame that is displayed during an animation. This feature is important to us, for displaying -through JavaScript- data (e.g. energy) that change from frame to frame. A PDB-file can also contain several structures, "models", but I don't think these are used for animations. You find this option in NMR-determined structures that are composed of a 'bundle' of coordinate files. These are similar structures that all fit within the boundaries determined by NMR. Showing variation in a loop for instance. Chime sports the command "nmrpdb=false|true|auto" to load such pdb-files. These models can be shown separately or on top of each other: "show model all|identifier".
So there is a difference between the two. M-xyz frames are shown in turn, nmr-pdb frames separately or on top of each other. In m-xyz files one (I) would like to transfer the display style to all frames! If a particular atomno is colored pink by a script, it should be pink in all frames, etc. In an nmr-pdb model this is not necessarily so, I think (anyone using this feature?) A vibration is a particular case of an m-xyz animation. In the discussion I noticed that people proposed to read and create the vibrations directly from the Gaussian, Turbomole, MOPAC, etc output. With so many QM-packages around this sounds like a lot of work and not a real priority to me. At this stage of development I'd like to suggest that the Chime-like animation control is included first. One can use a program like MOLDEN or SYBYL (there are many more for all platforms) to turn QM-vibrations into m-xyz files, and read those into JMol. Okay, now insert your "what do you mean by that". Hens ------------------------------------------------------- SF.Net is sponsored by: Speed Start Your Linux Apps Now. Build and deploy apps & Web services for Linux with a free DVD software kit from IBM. Click Now! http://ads.osdn.com/?ad_id=1356&alloc_id=3438&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
