Hens & Tim wrote: >> > How to create such PDB models (from computational packages) is >> another question; I'm willing to edit the files by hand if need >> arises. >> >> That may be our only option :-) >> > a simple perl uitility could drop different sets of atom records into > whatever format - including a sinlge multi-model file appended by a > single header. I am willing to tackle such a project if need be.
Tim, I think that some perl utilities to facilitate this process might be generally useful. One of my friends (Jose Luis Lopez) from here at the University of Salamanca is currently building animations using Spartan. They are taking Spartan output and generating multiple .pdb files. They are then taking the .pdb files and converting them to a multi-frame .xyz file ... to play in Chime. I have asked him to send me as 'set' of files ... starting with the Spartan output. Hens, what computation package are you using to generate your files? Miguel ------------------------------------------------------- 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
