VMD-L Mailing List

From: tnels_at_sfu.ca
Date: Fri Sep 29 2006 - 15:29:02 CDT

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hello,

I need to run STRIDE on each frame of a trajectory and output the secondary structures for each residue.  The timeline plugin does this but is not available in text mode.  I have looked into sscache and it calls something from the vmd source called vmd_calculate_structures.  I cannot find information on this routine.  Is it possible to modify it and have it output to a file?  Or, is there other way to output the file produced by timeline without having to go through all the graphics (ie in text mode)?

thanks,
Nels